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N-cyclopentyl-4-[(oxan-4-yl)sulfamoyl]benzamide

ChemBase ID: 370150
Molecular Formular: C17H24N2O4S
Molecular Mass: 352.44846
Monoisotopic Mass: 352.14567826
SMILES and InChIs

SMILES:
S(=O)(=O)(NC1CCOCC1)c1ccc(C(=O)NC2CCCC2)cc1
Canonical SMILES:
O=C(c1ccc(cc1)S(=O)(=O)NC1CCOCC1)NC1CCCC1
InChI:
InChI=1S/C17H24N2O4S/c20-17(18-14-3-1-2-4-14)13-5-7-16(8-6-13)24(21,22)19-15-9-11-23-12-10-15/h5-8,14-15,19H,1-4,9-12H2,(H,18,20)
InChIKey:
WXYWVYYMWSPBKE-UHFFFAOYSA-N

Cite this record

CBID:370150 http://www.chembase.cn/molecule-370150.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopentyl-4-[(oxan-4-yl)sulfamoyl]benzamide
IUPAC Traditional name
N-cyclopentyl-4-[(oxan-4-yl)sulfamoyl]benzamide
Synonyms
N-cyclopentyl-4-[(tetrahydro-2H-pyran-4-ylamino)sulfonyl]benzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 18229136 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 9.887308  H Acceptors
H Donor LogD (pH = 5.5) 1.193141 
LogD (pH = 7.4) 1.1919065  Log P 1.193157 
Molar Refractivity 91.9764 cm3 Polarizability 36.12818 Å3
Polar Surface Area 84.5 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.72  LOG S -3.24 
Polar Surface Area 84.5 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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