4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

C24H28ClN3O3S2 — CID 30889136

About 4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (PubChem CID 30889136) has the molecular formula C24H28ClN3O3S2 and a molecular weight of 506.09 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
• PubChem CID: 30889136
• Molecular Formula: C24H28ClN3O3S2
• Molecular Weight: 506.09 g/mol
• Exact Mass: 505.13
• IUPAC Name: 4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
• SMILES: COc1ccccc1N1CCN([C@@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C24H28ClN3O3S2/c1-18(26-33(29,30)20-11-9-19(25)10-12-20)24(23-8-5-17-32-23)28-15-13-27(14-16-28)21-6-3-4-7-22(21)31-2/h3-12,17-18,24,26H,13-16H2,1-2H3/t18-,24-/m1/s1
• InChIKey: LPCCNQLHTMODIV-HOYKHHGWSA-N
• XLogP: 4.64
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.09
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?

The IUPAC name of 4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (CID 30889136) is 4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is COc1ccccc1N1CCN([C@@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1.

What is the InChIKey of 4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?

The InChIKey is LPCCNQLHTMODIV-HOYKHHGWSA-N. The full InChI is InChI=1S/C24H28ClN3O3S2/c1-18(26-33(29,30)20-11-9-19(25)10-12-20)24(23-8-5-17-32-23)28-15-13-27(14-16-28)21-6-3-4-7-22(21)31-2/h3-12,17-18,24,26H,13-16H2,1-2H3/t18-,24-/m1/s1.

What are the key properties of 4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?

4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 506.09 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 30889136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).