N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide

C18H13FN2OS — CID 26115014

IUPACN-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cccnc1Sc1ccccc1
InChIInChI=1S/C18H13FN2OS/c19-15-10-4-5-11-16(15)21-17(22)14-9-6-12-20-18(14)23-13-7-2-1-3-8-13/h1-12H,(H,21,22)
InChIKeyROALHSTZNYLCCL-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.62
Rot. Bonds4

About N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide

N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 26115014) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID26115014
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC NameN-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cccnc1Sc1ccccc1
InChIInChI=1S/C18H13FN2OS/c19-15-10-4-5-11-16(15)21-17(22)14-9-6-12-20-18(14)23-13-7-2-1-3-8-13/h1-12H,(H,21,22)
InChIKeyROALHSTZNYLCCL-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 55342888
N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 9097470
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366
2-fluoro-6-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43442788
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
2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 39677967
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 1174565
N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 2558813
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
N-hexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 32647200
N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111428918

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide (CID 26115014) is N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide is O=C(Nc1ccccc1F)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is ROALHSTZNYLCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-15-10-4-5-11-16(15)21-17(22)14-9-6-12-20-18(14)23-13-7-2-1-3-8-13/h1-12H,(H,21,22).
What are the key properties of N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide?
N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 26115014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).