1-(benzenesulfonyl)-3-chloroindole-2-carboxamide

C15H11ClN2O3S — CID 133055740

IUPAC1-(benzenesulfonyl)-3-chloroindole-2-carboxamide
SMILESNC(=O)c1c(Cl)c2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H11ClN2O3S/c16-13-11-8-4-5-9-12(11)18(14(13)15(17)19)22(20,21)10-6-2-1-3-7-10/h1-9H,(H2,17,19)
InChIKeyAUFNSEGLSYLJTL-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.63
Rot. Bonds3

About 1-(benzenesulfonyl)-3-chloroindole-2-carboxamide

1-(benzenesulfonyl)-3-chloroindole-2-carboxamide (PubChem CID 133055740) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-chloroindole-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-chloroindole-2-carboxamide
PubChem CID133055740
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name1-(benzenesulfonyl)-3-chloroindole-2-carboxamide
SMILESNC(=O)c1c(Cl)c2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H11ClN2O3S/c16-13-11-8-4-5-9-12(11)18(14(13)15(17)19)22(20,21)10-6-2-1-3-7-10/h1-9H,(H2,17,19)
InChIKeyAUFNSEGLSYLJTL-UHFFFAOYSA-N
XLogP2.63
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(benzenesulfonyl)-3-chloroindol-2-yl]-pyridin-4-ylmethanone
CID 67035769
3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide
CID 133054783
1-(benzenesulfonyl)-3-chlorosulfonylindole-2-carboxylic acid
CID 87784362
[1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone
CID 10452101
3-hydroxy-1-methylsulfonylindole-2-carboxamide
CID 133058196
1-(benzenesulfonyl)-2-chloro-3-ethylindole
CID 14416105
sodium;1,3-dichloroindole-2-carboxylic acid;hydride
CID 173348475
1-(benzenesulfonyl)-2,3-bis(chloromethyl)indole
CID 10428188
1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole
CID 15473667
ethyl 1-(benzenesulfonyl)-3-(1,3-thiazol-2-yl)indole-2-carboxylate
CID 134907002
1-(benzenesulfonyl)-3-iodo-2-methylindole
CID 11538519
1-(benzenesulfonyl)-2-[hydroxy(phenyl)methyl]indole-3-carboxylic acid
CID 143599939

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-chloroindole-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-3-chloroindole-2-carboxamide (CID 133055740) is 1-(benzenesulfonyl)-3-chloroindole-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-3-chloroindole-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-3-chloroindole-2-carboxamide is NC(=O)c1c(Cl)c2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-chloroindole-2-carboxamide?
The InChIKey is AUFNSEGLSYLJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c16-13-11-8-4-5-9-12(11)18(14(13)15(17)19)22(20,21)10-6-2-1-3-7-10/h1-9H,(H2,17,19).
What are the key properties of 1-(benzenesulfonyl)-3-chloroindole-2-carboxamide?
1-(benzenesulfonyl)-3-chloroindole-2-carboxamide has a molecular weight of 334.78 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-chloroindole-2-carboxamide is sourced from PubChem (CID 133055740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).