5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid

C23H29FN4O4S — CID 53024935

About 5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid

5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 53024935) has the molecular formula C23H29FN4O4S and a molecular weight of 476.57 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 53024935
• Molecular Formula: C23H29FN4O4S
• Molecular Weight: 476.57 g/mol
• Exact Mass: 476.19
• IUPAC Name: 5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid
• SMILES: Cc1ccc(F)cc1S(=O)(=O)Nc1cnc(N2CCCC(CN3CCCC3)C2)c(C(=O)O)c1
• InChI: InChI=1S/C23H29FN4O4S/c1-16-6-7-18(24)11-21(16)33(31,32)26-19-12-20(23(29)30)22(25-13-19)28-10-4-5-17(15-28)14-27-8-2-3-9-27/h6-7,11-13,17,26H,2-5,8-10,14-15H2,1H3,(H,29,30)
• InChIKey: SJKGOLKUTPBYIX-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 102.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.57
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 53024935) is 5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid is Cc1ccc(F)cc1S(=O)(=O)Nc1cnc(N2CCCC(CN3CCCC3)C2)c(C(=O)O)c1.

What is the InChIKey of 5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid?

The InChIKey is SJKGOLKUTPBYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O4S/c1-16-6-7-18(24)11-21(16)33(31,32)26-19-12-20(23(29)30)22(25-13-19)28-10-4-5-17(15-28)14-27-8-2-3-9-27/h6-7,11-13,17,26H,2-5,8-10,14-15H2,1H3,(H,29,30).

What are the key properties of 5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid?

5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 476.57 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53024935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).