6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide

C23H23ClN6O3S2 — CID 74411526

About 6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide

6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 74411526) has the molecular formula C23H23ClN6O3S2 and a molecular weight of 531.06 g/mol. Its IUPAC name is 6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
• PubChem CID: 74411526
• Molecular Formula: C23H23ClN6O3S2
• Molecular Weight: 531.06 g/mol
• Exact Mass: 530.10
• IUPAC Name: 6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
• SMILES: CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cn2)CC1)n1ccc2ccc(Cl)cc21
• InChI: InChI=1S/C23H23ClN6O3S2/c1-16(30-8-6-17-2-3-18(24)14-20(17)30)22(31)29-11-9-28(10-12-29)21-5-4-19(15-26-21)35(32,33)27-23-25-7-13-34-23/h2-8,13-16H,9-12H2,1H3,(H,25,27)
• InChIKey: YSEVEARMNQKPCU-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 100.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.06
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide?

The IUPAC name of 6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide (CID 74411526) is 6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide.

What is the SMILES notation for 6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide?

The canonical SMILES for 6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide is CC(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cn2)CC1)n1ccc2ccc(Cl)cc21.

What is the InChIKey of 6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide?

The InChIKey is YSEVEARMNQKPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O3S2/c1-16(30-8-6-17-2-3-18(24)14-20(17)30)22(31)29-11-9-28(10-12-29)21-5-4-19(15-26-21)35(32,33)27-23-25-7-13-34-23/h2-8,13-16H,9-12H2,1H3,(H,25,27).

What are the key properties of 6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide?

6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 531.06 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-(6-chloroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 74411526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).