2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide

C24H19ClF2N4O3S — CID 140563090

About 2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide

2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide (PubChem CID 140563090) has the molecular formula C24H19ClF2N4O3S and a molecular weight of 516.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide
• PubChem CID: 140563090
• Molecular Formula: C24H19ClF2N4O3S
• Molecular Weight: 516.96 g/mol
• Exact Mass: 516.08
• IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide
• SMILES: NC(=O)C(c1cc(F)cc(F)c1)N(Cc1ccc(-c2ccn[nH]2)cc1)S(=O)(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H19ClF2N4O3S/c25-18-5-7-21(8-6-18)35(33,34)31(23(24(28)32)17-11-19(26)13-20(27)12-17)14-15-1-3-16(4-2-15)22-9-10-29-30-22/h1-13,23H,14H2,(H2,28,32)(H,29,30)
• InChIKey: GYTJLHQCAXWYRA-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 109.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.96
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide?

The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide (CID 140563090) is 2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide.

What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide?

The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide is NC(=O)C(c1cc(F)cc(F)c1)N(Cc1ccc(-c2ccn[nH]2)cc1)S(=O)(=O)c1ccc(Cl)cc1.

What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide?

The InChIKey is GYTJLHQCAXWYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N4O3S/c25-18-5-7-21(8-6-18)35(33,34)31(23(24(28)32)17-11-19(26)13-20(27)12-17)14-15-1-3-16(4-2-15)22-9-10-29-30-22/h1-13,23H,14H2,(H2,28,32)(H,29,30).

What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide?

2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide has a molecular weight of 516.96 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)sulfonyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 140563090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).