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151721-35-6 molecular structure
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N-(3-formylphenyl)benzenesulfonamide

ChemBase ID: 101774
Molecular Formular: C13H11NO3S
Molecular Mass: 261.29634
Monoisotopic Mass: 261.04596422
SMILES and InChIs

SMILES:
S(=O)(=O)(Nc1cc(C=O)ccc1)c1ccccc1
Canonical SMILES:
O=Cc1cccc(c1)NS(=O)(=O)c1ccccc1
InChI:
InChI=1S/C13H11NO3S/c15-10-11-5-4-6-12(9-11)14-18(16,17)13-7-2-1-3-8-13/h1-10,14H
InChIKey:
XYNPRCCUVAUTHD-UHFFFAOYSA-N

Cite this record

CBID:101774 http://www.chembase.cn/molecule-101774.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-formylphenyl)benzenesulfonamide
IUPAC Traditional name
N-(3-formylphenyl)benzenesulfonamide
Synonyms
N-(3-formylphenyl)benzenesulfonamide
CAS Number
151721-35-6
MDL Number
MFCD06017220
PubChem SID
162088238
PubChem CID
2794788

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 2794788 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 7.7702513  H Acceptors
H Donor LogD (pH = 5.5) 2.1713545 
LogD (pH = 7.4) 2.0398102  Log P 2.1734135 
Molar Refractivity 69.4742 cm3 Polarizability 27.086906 Å3
Polar Surface Area 63.24 Å2

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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