3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid

C24H23F3N4O4S — CID 153409693

About 3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid

3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 153409693) has the molecular formula C24H23F3N4O4S and a molecular weight of 520.53 g/mol. Its IUPAC name is 3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
• PubChem CID: 153409693
• Molecular Formula: C24H23F3N4O4S
• Molecular Weight: 520.53 g/mol
• Exact Mass: 520.14
• IUPAC Name: 3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
• SMILES: Cc1ccccc1-c1cc(NS(=O)(=O)c2ccnc(NC3CCC(C(=O)O)C3)c2)ncc1C(F)(F)F
• InChI: InChI=1S/C24H23F3N4O4S/c1-14-4-2-3-5-18(14)19-12-22(29-13-20(19)24(25,26)27)31-36(34,35)17-8-9-28-21(11-17)30-16-7-6-15(10-16)23(32)33/h2-5,8-9,11-13,15-16H,6-7,10H2,1H3,(H,28,30)(H,29,31)(H,32,33)
• InChIKey: WFPKQNKEKFTNPL-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 121.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.53
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid?

The IUPAC name of 3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid (CID 153409693) is 3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for 3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for 3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid is Cc1ccccc1-c1cc(NS(=O)(=O)c2ccnc(NC3CCC(C(=O)O)C3)c2)ncc1C(F)(F)F.

What is the InChIKey of 3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid?

The InChIKey is WFPKQNKEKFTNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4S/c1-14-4-2-3-5-18(14)19-12-22(29-13-20(19)24(25,26)27)31-36(34,35)17-8-9-28-21(11-17)30-16-7-6-15(10-16)23(32)33/h2-5,8-9,11-13,15-16H,6-7,10H2,1H3,(H,28,30)(H,29,31)(H,32,33).

What are the key properties of 3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid?

3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 520.53 g/mol, XLogP of 4.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[[4-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 153409693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).