6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide

C13H13ClN4O2S — CID 176710724

IUPAC6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nn1C
InChIInChI=1S/C13H13ClN4O2S/c1-8-5-13(16-18(8)2)17-21(19,20)12-7-15-11-6-9(14)3-4-10(11)12/h3-7,15H,1-2H3,(H,16,17)
InChIKeyFQSZBXYPAAYTRO-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.66
Rot. Bonds3

About 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide

6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide (PubChem CID 176710724) has the molecular formula C13H13ClN4O2S and a molecular weight of 324.79 g/mol. Its IUPAC name is 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
PubChem CID176710724
Molecular FormulaC13H13ClN4O2S
Molecular Weight324.79 g/mol
Exact Mass324.04
IUPAC Name6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nn1C
InChIInChI=1S/C13H13ClN4O2S/c1-8-5-13(16-18(8)2)17-21(19,20)12-7-15-11-6-9(14)3-4-10(11)12/h3-7,15H,1-2H3,(H,16,17)
InChIKeyFQSZBXYPAAYTRO-UHFFFAOYSA-N
XLogP2.66
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
N-(5-bromopyrazin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 150603744
6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710664
6-chloro-N-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]-1H-indole-3-sulfonamide
CID 167894761
6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide
CID 167746508
6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176710721
6-chloro-N-(4-ethyl-6-methoxy-5-methylpyrimidin-2-yl)-1H-indole-3-sulfonamide
CID 164907841
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide
CID 91648724
6-chloro-N-[5-(fluoromethoxy)-4,6-dimethoxypyrimidin-2-yl]-1H-indole-3-sulfonamide
CID 164907990
6-chloro-N-imidazo[5,1-b][1,3]thiazol-5-yl-1H-indole-3-sulfonamide
CID 176710619
N-(5-bromo-4-methoxypyrimidin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 169225707

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide (CID 176710724) is 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide is Cc1cc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)nn1C.
What is the InChIKey of 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide?
The InChIKey is FQSZBXYPAAYTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S/c1-8-5-13(16-18(8)2)17-21(19,20)12-7-15-11-6-9(14)3-4-10(11)12/h3-7,15H,1-2H3,(H,16,17).
What are the key properties of 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide?
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide has a molecular weight of 324.79 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 176710724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).