1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide

C19H16Cl3N3O3S3 — CID 16826666

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide (PubChem CID 16826666) has the molecular formula C19H16Cl3N3O3S3 and a molecular weight of 536.92 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
• PubChem CID: 16826666
• Molecular Formula: C19H16Cl3N3O3S3
• Molecular Weight: 536.92 g/mol
• Exact Mass: 534.94
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCCCN1S(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C19H16Cl3N3O3S3/c20-11-4-5-12(13(21)9-11)14-10-29-19(23-14)24-18(26)15-3-1-2-8-25(15)31(27,28)17-7-6-16(22)30-17/h4-7,9-10,15H,1-3,8H2,(H,23,24,26)
• InChIKey: UJJBILVHFOPUEI-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.92
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide (CID 16826666) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide is O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C1CCCCN1S(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?

The InChIKey is UJJBILVHFOPUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3N3O3S3/c20-11-4-5-12(13(21)9-11)14-10-29-19(23-14)24-18(26)15-3-1-2-8-25(15)31(27,28)17-7-6-16(22)30-17/h4-7,9-10,15H,1-3,8H2,(H,23,24,26).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide?

1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide has a molecular weight of 536.92 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 16826666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).