6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide

C15H14ClN5O2S — CID 176710721

IUPAC6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
SMILESCCCn1ncc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)c1C#N
InChIInChI=1S/C15H14ClN5O2S/c1-2-5-21-14(7-17)13(8-19-21)20-24(22,23)15-9-18-12-6-10(16)3-4-11(12)15/h3-4,6,8-9,18,20H,2,5H2,1H3
InChIKeyZVJGSCWNYSSRGC-UHFFFAOYSA-N
MW363.83 g/mol
LogP3.10
Rot. Bonds5

About 6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide

6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide (PubChem CID 176710721) has the molecular formula C15H14ClN5O2S and a molecular weight of 363.83 g/mol. Its IUPAC name is 6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
PubChem CID176710721
Molecular FormulaC15H14ClN5O2S
Molecular Weight363.83 g/mol
Exact Mass363.06
IUPAC Name6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
SMILESCCCn1ncc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)c1C#N
InChIInChI=1S/C15H14ClN5O2S/c1-2-5-21-14(7-17)13(8-19-21)20-24(22,23)15-9-18-12-6-10(16)3-4-11(12)15/h3-4,6,8-9,18,20H,2,5H2,1H3
InChIKeyZVJGSCWNYSSRGC-UHFFFAOYSA-N
XLogP3.10
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[5-cyano-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
CID 176711072
6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166
[4-[(6-chloro-1H-indol-3-yl)sulfinylamino]-1-propylpyrazol-5-yl] hypochlorite
CID 176711076
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-1H-indole-3-sulfonamide
CID 176710724
6-chloro-N-[5-(cyanomethyl)-3-methoxy-2-pyridinyl]-1H-indole-3-sulfonamide
CID 135201440
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
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
N-(5-bromo-4-methoxypyrimidin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 169225707
6-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-indole-3-sulfonamide
CID 167746508
6-chloro-N-(4-ethyl-6-methoxy-5-methylpyrimidin-2-yl)-1H-indole-3-sulfonamide
CID 164907841

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide (CID 176710721) is 6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide is CCCn1ncc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)c1C#N.
What is the InChIKey of 6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide?
The InChIKey is ZVJGSCWNYSSRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O2S/c1-2-5-21-14(7-17)13(8-19-21)20-24(22,23)15-9-18-12-6-10(16)3-4-11(12)15/h3-4,6,8-9,18,20H,2,5H2,1H3.
What are the key properties of 6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide?
6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide has a molecular weight of 363.83 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 176710721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).