3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide

C21H19ClFN3O3S — CID 58268242

IUPAC3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)N(C)c2ccccc2F)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C21H19ClFN3O3S/c1-13-10-18(25-30(28,29)15-8-9-16(22)14(2)11-15)20(24-12-13)21(27)26(3)19-7-5-4-6-17(19)23/h4-12,25H,1-3H3
InChIKeyKOVUYRKRLACHIN-UHFFFAOYSA-N
MW447.92 g/mol
LogP4.57
Rot. Bonds5

About 3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide

3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide (PubChem CID 58268242) has the molecular formula C21H19ClFN3O3S and a molecular weight of 447.92 g/mol. Its IUPAC name is 3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide
PubChem CID58268242
Molecular FormulaC21H19ClFN3O3S
Molecular Weight447.92 g/mol
Exact Mass447.08
IUPAC Name3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)N(C)c2ccccc2F)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1
InChIInChI=1S/C21H19ClFN3O3S/c1-13-10-18(25-30(28,29)15-8-9-16(22)14(2)11-15)20(24-12-13)21(27)26(3)19-7-5-4-6-17(19)23/h4-12,25H,1-3H3
InChIKeyKOVUYRKRLACHIN-UHFFFAOYSA-N
XLogP4.57
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide?
The IUPAC name of 3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide (CID 58268242) is 3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide?
The canonical SMILES for 3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide is Cc1cnc(C(=O)N(C)c2ccccc2F)c(NS(=O)(=O)c2ccc(Cl)c(C)c2)c1.
What is the InChIKey of 3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide?
The InChIKey is KOVUYRKRLACHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O3S/c1-13-10-18(25-30(28,29)15-8-9-16(22)14(2)11-15)20(24-12-13)21(27)26(3)19-7-5-4-6-17(19)23/h4-12,25H,1-3H3.
What are the key properties of 3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide?
3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide has a molecular weight of 447.92 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 58268242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).