3-(benzenesulfonyl)-1H-indole-2-carboxamide

C15H12N2O3S — CID 506863

IUPAC3-(benzenesulfonyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccccc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O3S/c16-15(18)13-14(11-8-4-5-9-12(11)17-13)21(19,20)10-6-2-1-3-7-10/h1-9,17H,(H2,16,18)
InChIKeyFZZBOGZHKTXPHC-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.10
Rot. Bonds3

About 3-(benzenesulfonyl)-1H-indole-2-carboxamide

3-(benzenesulfonyl)-1H-indole-2-carboxamide (PubChem CID 506863) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1H-indole-2-carboxamide
PubChem CID506863
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name3-(benzenesulfonyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccccc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12N2O3S/c16-15(18)13-14(11-8-4-5-9-12(11)17-13)21(19,20)10-6-2-1-3-7-10/h1-9,17H,(H2,16,18)
InChIKeyFZZBOGZHKTXPHC-UHFFFAOYSA-N
XLogP2.10
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzenesulfonyl-5-chloroindole-2-carboxamide
CID 454844
5-chloro-3-(3,5-dimethylbenzenesulfonyl)-1H-indole-2-carboxamide
CID 506873
2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide
CID 14611919
N-Phenyl-1H-indole-2-carboxamide
CID 589138
5-Chloro-3-phenylthioindole-2-carboxamide
CID 189896
N-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 454851
5-chloro-N-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 454852
3-(benzenesulfinyl)-5-chloro-1H-indole-2-carboxamide
CID 454853
1H-Indole-2-carboxamide
CID 594832
3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide
CID 510655
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide
CID 10271170
3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 11948688

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1H-indole-2-carboxamide?
The IUPAC name of 3-(benzenesulfonyl)-1H-indole-2-carboxamide (CID 506863) is 3-(benzenesulfonyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonyl)-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccccc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-1H-indole-2-carboxamide?
The InChIKey is FZZBOGZHKTXPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c16-15(18)13-14(11-8-4-5-9-12(11)17-13)21(19,20)10-6-2-1-3-7-10/h1-9,17H,(H2,16,18).
What are the key properties of 3-(benzenesulfonyl)-1H-indole-2-carboxamide?
3-(benzenesulfonyl)-1H-indole-2-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 506863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).