2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide

C27H27F2N3O4S — CID 46150949

About 2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 46150949) has the molecular formula C27H27F2N3O4S and a molecular weight of 527.59 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
• PubChem CID: 46150949
• Molecular Formula: C27H27F2N3O4S
• Molecular Weight: 527.59 g/mol
• Exact Mass: 527.17
• IUPAC Name: 2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
• SMILES: O=C(NCc1ccc(F)cc1)C(NS(=O)(=O)c1ccccc1)C1CCN(C(=O)c2cccc(F)c2)CC1
• InChI: InChI=1S/C27H27F2N3O4S/c28-22-11-9-19(10-12-22)18-30-26(33)25(31-37(35,36)24-7-2-1-3-8-24)20-13-15-32(16-14-20)27(34)21-5-4-6-23(29)17-21/h1-12,17,20,25,31H,13-16,18H2,(H,30,33)
• InChIKey: KTNYELYYIAITGX-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 95.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.59
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?

The IUPAC name of 2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 46150949) is 2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide.

What is the SMILES notation for 2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?

The canonical SMILES for 2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(NCc1ccc(F)cc1)C(NS(=O)(=O)c1ccccc1)C1CCN(C(=O)c2cccc(F)c2)CC1.

What is the InChIKey of 2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?

The InChIKey is KTNYELYYIAITGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N3O4S/c28-22-11-9-19(10-12-22)18-30-26(33)25(31-37(35,36)24-7-2-1-3-8-24)20-13-15-32(16-14-20)27(34)21-5-4-6-23(29)17-21/h1-12,17,20,25,31H,13-16,18H2,(H,30,33).

What are the key properties of 2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide?

2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 527.59 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzenesulfonamido)-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 46150949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).