N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide

C25H18ClF2N3O3S — CID 58734275

About N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide

N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide (PubChem CID 58734275) has the molecular formula C25H18ClF2N3O3S and a molecular weight of 513.95 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide
• PubChem CID: 58734275
• Molecular Formula: C25H18ClF2N3O3S
• Molecular Weight: 513.95 g/mol
• Exact Mass: 513.07
• IUPAC Name: N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide
• SMILES: O=C(Cc1ccccn1)Nc1cccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)n1
• InChI: InChI=1S/C25H18ClF2N3O3S/c26-16-7-10-19(11-8-16)35(33,34)25(20-14-17(27)9-12-21(20)28)22-5-3-6-23(30-22)31-24(32)15-18-4-1-2-13-29-18/h1-14,25H,15H2,(H,30,31,32)
• InChIKey: KICDUACDUFTOFN-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 89.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.95
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide?

The IUPAC name of N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide (CID 58734275) is N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide.

What is the SMILES notation for N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide?

The canonical SMILES for N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)Nc1cccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)n1.

What is the InChIKey of N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide?

The InChIKey is KICDUACDUFTOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF2N3O3S/c26-16-7-10-19(11-8-16)35(33,34)25(20-14-17(27)9-12-21(20)28)22-5-3-6-23(30-22)31-24(32)15-18-4-1-2-13-29-18/h1-14,25H,15H2,(H,30,31,32).

What are the key properties of N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide?

N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide has a molecular weight of 513.95 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 58734275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).