(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide

C25H23Cl4N3O5S2 — CID 99665851

About (3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide

(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide (PubChem CID 99665851) has the molecular formula C25H23Cl4N3O5S2 and a molecular weight of 651.42 g/mol. Its IUPAC name is (3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
• PubChem CID: 99665851
• Molecular Formula: C25H23Cl4N3O5S2
• Molecular Weight: 651.42 g/mol
• Exact Mass: 648.98
• IUPAC Name: (3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1
• InChI: InChI=1S/C25H23Cl4N3O5S2/c26-17-11-18(27)13-20(12-17)31-39(36,37)21-8-6-19(7-9-21)30-25(33)16-3-2-10-32(14-16)38(34,35)15-22-23(28)4-1-5-24(22)29/h1,4-9,11-13,16,31H,2-3,10,14-15H2,(H,30,33)/t16-/m1/s1
• InChIKey: YICICIWFESBZRW-MRXNPFEDSA-N
• XLogP: 6.28
• TPSA: 112.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.42
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide (CID 99665851) is (3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1.

What is the InChIKey of (3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?

The InChIKey is YICICIWFESBZRW-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H23Cl4N3O5S2/c26-17-11-18(27)13-20(12-17)31-39(36,37)21-8-6-19(7-9-21)30-25(33)16-3-2-10-32(14-16)38(34,35)15-22-23(28)4-1-5-24(22)29/h1,4-9,11-13,16,31H,2-3,10,14-15H2,(H,30,33)/t16-/m1/s1.

What are the key properties of (3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?

(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide has a molecular weight of 651.42 g/mol, XLogP of 6.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 99665851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).