5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide

C20H15Cl2F2N3O3S — CID 58268152

IUPAC5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N(C)c2ccc(F)cc2F)ccc1Cl
InChIInChI=1S/C20H15Cl2F2N3O3S/c1-11-7-14(4-5-15(11)22)31(29,30)26-17-8-12(21)10-25-19(17)20(28)27(2)18-6-3-13(23)9-16(18)24/h3-10,26H,1-2H3
InChIKeyVFCFSECWACBCMJ-UHFFFAOYSA-N
MW486.33 g/mol
LogP5.05
Rot. Bonds5

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

5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide (PubChem CID 58268152) has the molecular formula C20H15Cl2F2N3O3S and a molecular weight of 486.33 g/mol. Its IUPAC name is 5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide
PubChem CID58268152
Molecular FormulaC20H15Cl2F2N3O3S
Molecular Weight486.33 g/mol
Exact Mass485.02
IUPAC Name5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide
SMILESCc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N(C)c2ccc(F)cc2F)ccc1Cl
InChIInChI=1S/C20H15Cl2F2N3O3S/c1-11-7-14(4-5-15(11)22)31(29,30)26-17-8-12(21)10-25-19(17)20(28)27(2)18-6-3-13(23)9-16(18)24/h3-10,26H,1-2H3
InChIKeyVFCFSECWACBCMJ-UHFFFAOYSA-N
XLogP5.05
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.33
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2-fluorophenyl)-N,5-dimethylpyridine-2-carboxamide
CID 58268242
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]-4-fluorophenyl]acetamide
CID 113093031
5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxylic acid;3-fluoro-N-methylaniline;methane
CID 159433012
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113092544
4-chloro-N-[5-chloro-2-[2-(1,3-oxazol-2-yl)benzoyl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268348
4-chloro-N-[5-chloro-2-[(2-fluoro-6-methoxyphenyl)-hydroxymethyl]-3-pyridinyl]-3-methylbenzenesulfonamide
CID 143262644
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268260
methyl 1-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]piperidine-2-carboxylate
CID 58268147
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide (CID 58268152) is 5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)N(C)c2ccc(F)cc2F)ccc1Cl.
What is the InChIKey of 5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide?
The InChIKey is VFCFSECWACBCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F2N3O3S/c1-11-7-14(4-5-15(11)22)31(29,30)26-17-8-12(21)10-25-19(17)20(28)27(2)18-6-3-13(23)9-16(18)24/h3-10,26H,1-2H3.
What are the key properties of 5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide?
5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide has a molecular weight of 486.33 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]-N-(2,4-difluorophenyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 58268152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).