N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide

C19H14ClFN2OS — CID 9097470

IUPACN-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C19H14ClFN2OS/c1-12-4-7-14(8-5-12)25-19-15(3-2-10-22-19)18(24)23-17-9-6-13(20)11-16(17)21/h2-11H,1H3,(H,23,24)
InChIKeyFSPTWLPBMDEKSO-UHFFFAOYSA-N
MW372.85 g/mol
LogP5.59
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide

N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide (PubChem CID 9097470) has the molecular formula C19H14ClFN2OS and a molecular weight of 372.85 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
PubChem CID9097470
Molecular FormulaC19H14ClFN2OS
Molecular Weight372.85 g/mol
Exact Mass372.05
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C19H14ClFN2OS/c1-12-4-7-14(8-5-12)25-19-15(3-2-10-22-19)18(24)23-17-9-6-13(20)11-16(17)21/h2-11H,1H3,(H,23,24)
InChIKeyFSPTWLPBMDEKSO-UHFFFAOYSA-N
XLogP5.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.85
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-chloroanilino)sulfanyl-4-fluorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 156859919
N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78804077
N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107362716
N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 4841709
N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26115014
2-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 103751818
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26086401
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate
CID 7773911
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366
2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 55330294
N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 4784859

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide (CID 9097470) is N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)Nc2ccc(Cl)cc2F)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is FSPTWLPBMDEKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2OS/c1-12-4-7-14(8-5-12)25-19-15(3-2-10-22-19)18(24)23-17-9-6-13(20)11-16(17)21/h2-11H,1H3,(H,23,24).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 9097470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).