5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide

C26H32ClF3N2O4S — CID 11857792

About 5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide

5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide (PubChem CID 11857792) has the molecular formula C26H32ClF3N2O4S and a molecular weight of 561.07 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide
• PubChem CID: 11857792
• Molecular Formula: C26H32ClF3N2O4S
• Molecular Weight: 561.07 g/mol
• Exact Mass: 560.17
• IUPAC Name: 5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide
• SMILES: COc1ccc(Cl)cc1S(=O)(=O)NC1CCC(N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1
• InChI: InChI=1S/C26H32ClF3N2O4S/c1-35-24-11-6-19(27)16-25(24)37(33,34)31-20-7-9-21(10-8-20)32-14-12-18(13-15-32)22-4-2-3-5-23(22)36-17-26(28,29)30/h2-6,11,16,18,20-21,31H,7-10,12-15,17H2,1H3
• InChIKey: WDZOSSNSOBKEMP-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.07
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide?

The IUPAC name of 5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide (CID 11857792) is 5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide.

What is the SMILES notation for 5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide?

The canonical SMILES for 5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NC1CCC(N2CCC(c3ccccc3OCC(F)(F)F)CC2)CC1.

What is the InChIKey of 5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide?

The InChIKey is WDZOSSNSOBKEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClF3N2O4S/c1-35-24-11-6-19(27)16-25(24)37(33,34)31-20-7-9-21(10-8-20)32-14-12-18(13-15-32)22-4-2-3-5-23(22)36-17-26(28,29)30/h2-6,11,16,18,20-21,31H,7-10,12-15,17H2,1H3.

What are the key properties of 5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide?

5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide has a molecular weight of 561.07 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methoxy-N-[4-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 11857792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).