N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide

C34H41Cl2FN4O5S2 — CID 18539063

About N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide

N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 18539063) has the molecular formula C34H41Cl2FN4O5S2 and a molecular weight of 739.76 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
• PubChem CID: 18539063
• Molecular Formula: C34H41Cl2FN4O5S2
• Molecular Weight: 739.76 g/mol
• Exact Mass: 738.19
• IUPAC Name: N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
• SMILES: CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1
• InChI: InChI=1S/C34H41Cl2FN4O5S2/c1-47(43,44)40-21-15-27(16-22-40)34(42)41(30-9-12-32(35)33(36)24-30)18-2-17-39-19-13-26(14-20-39)23-25-3-10-31(11-4-25)48(45,46)38-29-7-5-28(37)6-8-29/h3-12,24,26-27,38H,2,13-23H2,1H3
• InChIKey: KAUJPKNKMYMSJY-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 107.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.76
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?

The IUPAC name of N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 18539063) is N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide.

What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?

The canonical SMILES for N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1.

What is the InChIKey of N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?

The InChIKey is KAUJPKNKMYMSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41Cl2FN4O5S2/c1-47(43,44)40-21-15-27(16-22-40)34(42)41(30-9-12-32(35)33(36)24-30)18-2-17-39-19-13-26(14-20-39)23-25-3-10-31(11-4-25)48(45,46)38-29-7-5-28(37)6-8-29/h3-12,24,26-27,38H,2,13-23H2,1H3.

What are the key properties of N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide?

N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 739.76 g/mol, XLogP of 6.28, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 18539063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).