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540740-48-5 molecular structure
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1-(benzenesulfonyl)-6-chloro-1H-indole-2-carboxamide

ChemBase ID: 811863
Molecular Formular: C15H11ClN2O3S
Molecular Mass: 334.77744
Monoisotopic Mass: 334.0178909
SMILES and InChIs

SMILES:
c1(cc2ccc(cc2n1S(=O)(=O)c1ccccc1)Cl)C(=O)N
Canonical SMILES:
Clc1ccc2c(c1)n(c(c2)C(=O)N)S(=O)(=O)c1ccccc1
InChI:
InChI=1S/C15H11ClN2O3S/c16-11-7-6-10-8-14(15(17)19)18(13(10)9-11)22(20,21)12-4-2-1-3-5-12/h1-9H,(H2,17,19)
InChIKey:
KGGYZNNQQFJAOO-UHFFFAOYSA-N

Cite this record

CBID:811863 http://www.chembase.cn/molecule-811863.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(benzenesulfonyl)-6-chloro-1H-indole-2-carboxamide
IUPAC Traditional name
1-(benzenesulfonyl)-6-chloroindole-2-carboxamide
Synonyms
6-CHLORO-1-(PHENYLSULFONYL)-1H-INDOLE-2-CARBOXAMIDE
CAS Number
540740-48-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31307 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31307 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.114795  H Acceptors
H Donor LogD (pH = 5.5) 2.3760679 
LogD (pH = 7.4) 2.376068  Log P 2.3760679 
Molar Refractivity 83.9255 cm3 Polarizability 33.970222 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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