6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide

C13H13ClN4O2S — CID 176710664

IUPAC6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)c1C
InChIInChI=1S/C13H13ClN4O2S/c1-7-8(2)16-17-13(7)18-21(19,20)12-6-15-11-5-9(14)3-4-10(11)12/h3-6,15H,1-2H3,(H2,16,17,18)
InChIKeyQAVVKOURIDAPEC-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.96
Rot. Bonds3

About 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide

6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide (PubChem CID 176710664) has the molecular formula C13H13ClN4O2S and a molecular weight of 324.79 g/mol. Its IUPAC name is 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
PubChem CID176710664
Molecular FormulaC13H13ClN4O2S
Molecular Weight324.79 g/mol
Exact Mass324.04
IUPAC Name6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)c1C
InChIInChI=1S/C13H13ClN4O2S/c1-7-8(2)16-17-13(7)18-21(19,20)12-6-15-11-5-9(14)3-4-10(11)12/h3-6,15H,1-2H3,(H2,16,17,18)
InChIKeyQAVVKOURIDAPEC-UHFFFAOYSA-N
XLogP2.96
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfinamide
CID 176710844
6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710724
6-chloro-N-(5-ethenyl-3,6-difluoro-2-pyridinyl)-1H-indole-3-sulfonamide
CID 135201227
6-chloro-N-[5-chloro-3-fluoro-6-(fluoromethyl)-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135191791
6-chloro-N-(6-methoxy-1,2-benzoxazol-3-yl)-1H-indole-3-sulfonamide
CID 167940139
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 115698055
6-chloro-N-(4-ethyl-6-methoxy-5-methylpyrimidin-2-yl)-1H-indole-3-sulfonamide
CID 164907841
5,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indole-3-sulfonamide
CID 167920553
N-(5-bromopyrazin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 150603744
6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide
CID 167746508
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide (CID 176710664) is 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide is Cc1[nH]nc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)c1C.
What is the InChIKey of 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide?
The InChIKey is QAVVKOURIDAPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S/c1-7-8(2)16-17-13(7)18-21(19,20)12-6-15-11-5-9(14)3-4-10(11)12/h3-6,15H,1-2H3,(H2,16,17,18).
What are the key properties of 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide?
6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide has a molecular weight of 324.79 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 176710664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).