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

C₁₅H₁₄ClN₅O₂S — CID 176710721

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 Name: 6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
• PubChem CID: 176710721
• Molecular Formula: C₁₅H₁₄ClN₅O₂S
• Molecular Weight: 363.83 g/mol
• Exact Mass: 363.06
• IUPAC Name: 6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
• SMILES: CCCn1ncc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)c1C#N
• InChI: 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
• InChIKey: ZVJGSCWNYSSRGC-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 103.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.83
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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).

Sources

• PubChem CID 176710721 — identifiers, structure, computed properties (public domain)

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