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{[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]sulfamoyl}dimethylamine
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ChemBase ID:
370736
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Molecular Formular:
C17H24N4O2S
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Molecular Mass:
348.46306
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Monoisotopic Mass:
348.16199703
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SMILES and InChIs
SMILES:
n1(c2c(cn1)C(NS(=O)(=O)N(C)C)CCC2)c1c(c(ccc1)C)C
Canonical SMILES:
Cc1cccc(c1C)n1ncc2c1CCCC2NS(=O)(=O)N(C)C
InChI:
InChI=1S/C17H24N4O2S/c1-12-7-5-9-16(13(12)2)21-17-10-6-8-15(14(17)11-18-21)19-24(22,23)20(3)4/h5,7,9,11,15,19H,6,8,10H2,1-4H3
InChIKey:
IPRLKCULFKLUHB-UHFFFAOYSA-N
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Cite this record
CBID:370736 http://www.chembase.cn/molecule-370736.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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{[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]sulfamoyl}dimethylamine
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IUPAC Traditional name
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{[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl}dimethylamine
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Synonyms
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N'-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-N,N-dimethylsulfamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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10.690365
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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2.2696621
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LogD (pH = 7.4)
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2.2695472
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Log P
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2.2697453
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Molar Refractivity
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96.8017 cm3
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Polarizability
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38.004936 Å3
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Polar Surface Area
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67.23 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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H Acceptors
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3
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H Donor
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1
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Log P
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2.44
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LOG S
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-3.83
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Polar Surface Area
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67.23 Å2
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Rotatable Bonds
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2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent