1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid

C24H24ClFN4O4S — CID 134328936

IUPAC1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
SMILESCc1c(F)cccc1-c1nc(NS(=O)(=O)c2cccc(N3CCC(C)(C(=O)O)CC3)n2)ccc1Cl
InChIInChI=1S/C24H24ClFN4O4S/c1-15-16(5-3-6-18(15)26)22-17(25)9-10-19(27-22)29-35(33,34)21-8-4-7-20(28-21)30-13-11-24(2,12-14-30)23(31)32/h3-10H,11-14H2,1-2H3,(H,27,29)(H,31,32)
InChIKeySMHMVUCZWBCMOP-UHFFFAOYSA-N
MW519.00 g/mol
LogP4.74
Rot. Bonds6

About 1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid

1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 134328936) has the molecular formula C24H24ClFN4O4S and a molecular weight of 519.00 g/mol. Its IUPAC name is 1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID134328936
Molecular FormulaC24H24ClFN4O4S
Molecular Weight519.00 g/mol
Exact Mass518.12
IUPAC Name1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
SMILESCc1c(F)cccc1-c1nc(NS(=O)(=O)c2cccc(N3CCC(C)(C(=O)O)CC3)n2)ccc1Cl
InChIInChI=1S/C24H24ClFN4O4S/c1-15-16(5-3-6-18(15)26)22-17(25)9-10-19(27-22)29-35(33,34)21-8-4-7-20(28-21)30-13-11-24(2,12-14-30)23(31)32/h3-10H,11-14H2,1-2H3,(H,27,29)(H,31,32)
InChIKeySMHMVUCZWBCMOP-UHFFFAOYSA-N
XLogP4.74
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.00
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid (CID 134328936) is 1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid is Cc1c(F)cccc1-c1nc(NS(=O)(=O)c2cccc(N3CCC(C)(C(=O)O)CC3)n2)ccc1Cl.
What is the InChIKey of 1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is SMHMVUCZWBCMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O4S/c1-15-16(5-3-6-18(15)26)22-17(25)9-10-19(27-22)29-35(33,34)21-8-4-7-20(28-21)30-13-11-24(2,12-14-30)23(31)32/h3-10H,11-14H2,1-2H3,(H,27,29)(H,31,32).
What are the key properties of 1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 519.00 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[5-chloro-6-(3-fluoro-2-methylphenyl)-2-pyridinyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 134328936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).