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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Related Compounds

5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide
CID 58268152
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268260
2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
CID 58268135
N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268290
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093718
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 159989205
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093031
4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268348
6-amino-3-chloro-N-(2-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 62161597
4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide
CID 57378758

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).