5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid

C24H25FN4O4S — CID 92746316

About 5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid

5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 92746316) has the molecular formula C24H25FN4O4S and a molecular weight of 484.55 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 92746316
• Molecular Formula: C24H25FN4O4S
• Molecular Weight: 484.55 g/mol
• Exact Mass: 484.16
• IUPAC Name: 5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid
• SMILES: Cc1cccc(N2CCN(c3ncc(NS(=O)(=O)c4cccc(F)c4)cc3C(=O)O)C[C@H]2C)c1
• InChI: InChI=1S/C24H25FN4O4S/c1-16-5-3-7-20(11-16)29-10-9-28(15-17(29)2)23-22(24(30)31)13-19(14-26-23)27-34(32,33)21-8-4-6-18(25)12-21/h3-8,11-14,17,27H,9-10,15H2,1-2H3,(H,30,31)/t17-/m1/s1
• InChIKey: IPJXEJSGZKLAGL-QGZVFWFLSA-N
• XLogP: 3.74
• TPSA: 102.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.55
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 92746316) is 5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid is Cc1cccc(N2CCN(c3ncc(NS(=O)(=O)c4cccc(F)c4)cc3C(=O)O)C[C@H]2C)c1.

What is the InChIKey of 5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid?

The InChIKey is IPJXEJSGZKLAGL-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25FN4O4S/c1-16-5-3-7-20(11-16)29-10-9-28(15-17(29)2)23-22(24(30)31)13-19(14-26-23)27-34(32,33)21-8-4-6-18(25)12-21/h3-8,11-14,17,27H,9-10,15H2,1-2H3,(H,30,31)/t17-/m1/s1.

What are the key properties of 5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid?

5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 484.55 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 92746316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).