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N-benzyl[(2H-1,3-benzodioxol-5-yl)amino]sulfonamide

ChemBase ID: 322517
Molecular Formular: C14H14N2O4S
Molecular Mass: 306.33696
Monoisotopic Mass: 306.06742794
SMILES and InChIs

SMILES:
S(=O)(=O)(Nc1cc2c(OCO2)cc1)NCc1ccccc1
Canonical SMILES:
O=S(=O)(Nc1ccc2c(c1)OCO2)NCc1ccccc1
InChI:
InChI=1S/C14H14N2O4S/c17-21(18,15-9-11-4-2-1-3-5-11)16-12-6-7-13-14(8-12)20-10-19-13/h1-8,15-16H,9-10H2
InChIKey:
VJHSBHZPIYDBFT-UHFFFAOYSA-N

Cite this record

CBID:322517 http://www.chembase.cn/molecule-322517.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzyl[(2H-1,3-benzodioxol-5-yl)amino]sulfonamide
IUPAC Traditional name
N-benzyl(2H-1,3-benzodioxol-5-ylamino)sulfonamide
Synonyms
N-1,3-benzodioxol-5-yl-N'-benzylsulfamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.251142  H Acceptors
H Donor LogD (pH = 5.5) 1.4617064 
LogD (pH = 7.4) 1.4611716  Log P 1.4617132 
Molar Refractivity 76.7921 cm3 Polarizability 31.08142 Å3
Polar Surface Area 76.66 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.6  LOG S -3.65 
Polar Surface Area 76.66 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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