N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide

C21H23ClN4O3S2 — CID 50842172

About N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide

N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide (PubChem CID 50842172) has the molecular formula C21H23ClN4O3S2 and a molecular weight of 479.03 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
• PubChem CID: 50842172
• Molecular Formula: C21H23ClN4O3S2
• Molecular Weight: 479.03 g/mol
• Exact Mass: 478.09
• IUPAC Name: N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide
• SMILES: Cc1csc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3)cn2CC(=O)N2CCCCC2)n1
• InChI: InChI=1S/C21H23ClN4O3S2/c1-15-14-30-21(23-15)19-11-18(31(28,29)24-17-7-5-6-16(22)10-17)12-26(19)13-20(27)25-8-3-2-4-9-25/h5-7,10-12,14,24H,2-4,8-9,13H2,1H3
• InChIKey: SRLXZFUTZAYRRP-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.03
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide?

The IUPAC name of N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide (CID 50842172) is N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide.

What is the SMILES notation for N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide?

The canonical SMILES for N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide is Cc1csc(-c2cc(S(=O)(=O)Nc3cccc(Cl)c3)cn2CC(=O)N2CCCCC2)n1.

What is the InChIKey of N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide?

The InChIKey is SRLXZFUTZAYRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S2/c1-15-14-30-21(23-15)19-11-18(31(28,29)24-17-7-5-6-16(22)10-17)12-26(19)13-20(27)25-8-3-2-4-9-25/h5-7,10-12,14,24H,2-4,8-9,13H2,1H3.

What are the key properties of N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide?

N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide has a molecular weight of 479.03 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 50842172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).