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N-(1,1-dioxo-1λ6-thiolan-3-yl)-N-ethyl-4-(1H-pyrazol-1-yl)benzene-1-sulfonamide

ChemBase ID: 341069
Molecular Formular: C15H19N3O4S2
Molecular Mass: 369.45906
Monoisotopic Mass: 369.0816981
SMILES and InChIs

SMILES:
S(=O)(=O)(N(C1CS(=O)(=O)CC1)CC)c1ccc(n2nccc2)cc1
Canonical SMILES:
CCN(S(=O)(=O)c1ccc(cc1)n1cccn1)C1CCS(=O)(=O)C1
InChI:
InChI=1S/C15H19N3O4S2/c1-2-18(14-8-11-23(19,20)12-14)24(21,22)15-6-4-13(5-7-15)17-10-3-9-16-17/h3-7,9-10,14H,2,8,11-12H2,1H3
InChIKey:
KDRMXLQWAZAWMI-UHFFFAOYSA-N

Cite this record

CBID:341069 http://www.chembase.cn/molecule-341069.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1,1-dioxo-1λ6-thiolan-3-yl)-N-ethyl-4-(1H-pyrazol-1-yl)benzene-1-sulfonamide
IUPAC Traditional name
N-(1,1-dioxo-1λ6-thiolan-3-yl)-N-ethyl-4-(pyrazol-1-yl)benzenesulfonamide
Synonyms
N-(1,1-dioxidotetrahydro-3-thienyl)-N-ethyl-4-(1H-pyrazol-1-yl)benzenesulfonamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13969741 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.24928164  LogD (pH = 7.4) 0.24933808 
Log P 0.24933879  Molar Refractivity 91.6706 cm3
Polarizability 37.222893 Å3 Polar Surface Area 89.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.93  LOG S -2.69 
Polar Surface Area 89.34 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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