6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide

C13H11ClN2O2S2 — CID 176711099

IUPAC6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
SMILESCc1cscc1NS(=O)(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H11ClN2O2S2/c1-8-6-19-7-12(8)16-20(17,18)13-5-15-11-4-9(14)2-3-10(11)13/h2-7,15-16H,1H3
InChIKeyDFMJTALGQDYAHS-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.99
Rot. Bonds3

About 6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide

6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide (PubChem CID 176711099) has the molecular formula C13H11ClN2O2S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
PubChem CID176711099
Molecular FormulaC13H11ClN2O2S2
Molecular Weight326.83 g/mol
Exact Mass326.00
IUPAC Name6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
SMILESCc1cscc1NS(=O)(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C13H11ClN2O2S2/c1-8-6-19-7-12(8)16-20(17,18)13-5-15-11-4-9(14)2-3-10(11)13/h2-7,15-16H,1H3
InChIKeyDFMJTALGQDYAHS-UHFFFAOYSA-N
XLogP3.99
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710664
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710724
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176710721
6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166
6-chloro-N-(4-ethyl-6-methoxy-5-methylpyrimidin-2-yl)-1H-indole-3-sulfonamide
CID 164907841
N-(5-bromopyrazin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 150603744
6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide
CID 176710619
N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide
CID 135201179
6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide
CID 167746508
6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
CID 146278102
6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907990

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide (CID 176711099) is 6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide is Cc1cscc1NS(=O)(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide?
The InChIKey is DFMJTALGQDYAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S2/c1-8-6-19-7-12(8)16-20(17,18)13-5-15-11-4-9(14)2-3-10(11)13/h2-7,15-16H,1H3.
What are the key properties of 6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide?
6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide has a molecular weight of 326.83 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 176711099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).