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540740-49-6 molecular structure
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1-(benzenesulfonyl)-1H-indole-3-carboxamide

ChemBase ID: 811864
Molecular Formular: C15H12N2O3S
Molecular Mass: 300.33238
Monoisotopic Mass: 300.05686325
SMILES and InChIs

SMILES:
c1c(c2ccccc2n1S(=O)(=O)c1ccccc1)C(=O)N
Canonical SMILES:
NC(=O)c1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
InChI:
InChI=1S/C15H12N2O3S/c16-15(18)13-10-17(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10H,(H2,16,18)
InChIKey:
IYZZKHYPDJGMMI-UHFFFAOYSA-N

Cite this record

CBID:811864 http://www.chembase.cn/molecule-811864.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(benzenesulfonyl)-1H-indole-3-carboxamide
IUPAC Traditional name
1-(benzenesulfonyl)indole-3-carboxamide
Synonyms
1-(PHENYLSULFONYL)-1H-INDOLE-3-CARBOXAMIDE
CAS Number
540740-49-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31308 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31308 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.358741  H Acceptors
H Donor LogD (pH = 5.5) 1.852022 
LogD (pH = 7.4) 1.8520222  Log P 1.8520222 
Molar Refractivity 79.2432 cm3 Polarizability 32.08597 Å3
Polar Surface Area 82.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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