5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide

C35H35Cl2N3O4S — CID 166354622

About 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide

5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide (PubChem CID 166354622) has the molecular formula C35H35Cl2N3O4S and a molecular weight of 664.66 g/mol. Its IUPAC name is 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide.

Molecular Properties

• Compound Name: 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide
• PubChem CID: 166354622
• Molecular Formula: C35H35Cl2N3O4S
• Molecular Weight: 664.66 g/mol
• Exact Mass: 663.17
• IUPAC Name: 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide
• SMILES: Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)ccc1Cl
• InChI: InChI=1S/C35H35Cl2N3O4S/c1-23-17-24(2)21-39(20-23)35(42)27-10-9-25(3)33(18-27)38-34(41)31-19-30(15-16-32(31)37)45(43,44)40(22-26-7-5-4-6-8-26)29-13-11-28(36)12-14-29/h4-16,18-19,23-24H,17,20-22H2,1-3H3,(H,38,41)
• InChIKey: GROXEBBWFFXNEZ-UHFFFAOYSA-N
• XLogP: 8.07
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.66
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide?

The IUPAC name of 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide (CID 166354622) is 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide.

What is the SMILES notation for 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide?

The canonical SMILES for 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)ccc1Cl.

What is the InChIKey of 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide?

The InChIKey is GROXEBBWFFXNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35Cl2N3O4S/c1-23-17-24(2)21-39(20-23)35(42)27-10-9-25(3)33(18-27)38-34(41)31-19-30(15-16-32(31)37)45(43,44)40(22-26-7-5-4-6-8-26)29-13-11-28(36)12-14-29/h4-16,18-19,23-24H,17,20-22H2,1-3H3,(H,38,41).

What are the key properties of 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide?

5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide has a molecular weight of 664.66 g/mol, XLogP of 8.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[benzyl-(4-chlorophenyl)sulfamoyl]-2-chloro-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]benzamide is sourced from PubChem (CID 166354622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).