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

C18H13ClN2OS — CID 26086401

IUPACN-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C18H13ClN2OS/c19-13-6-4-7-14(12-13)21-17(22)16-10-5-11-20-18(16)23-15-8-2-1-3-9-15/h1-12H,(H,21,22)
InChIKeyPKMDUUOQMTVYEU-UHFFFAOYSA-N
MW340.84 g/mol
LogP5.14
Rot. Bonds4

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

N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 26086401) has the molecular formula C18H13ClN2OS and a molecular weight of 340.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID26086401
Molecular FormulaC18H13ClN2OS
Molecular Weight340.84 g/mol
Exact Mass340.04
IUPAC NameN-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C18H13ClN2OS/c19-13-6-4-7-14(12-13)21-17(22)16-10-5-11-20-18(16)23-15-8-2-1-3-9-15/h1-12H,(H,21,22)
InChIKeyPKMDUUOQMTVYEU-UHFFFAOYSA-N
XLogP5.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.84
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 39677967
N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 38326707
2-amino-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 62155044
N-(3-chlorophenyl)-2-(1-pyridin-4-ylethylsulfanyl)pyridine-3-carboxamide
CID 23093892
N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 2558813
N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26115014
2-phenylsulfanyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 55342888
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 16568023
2-phenylsulfanyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]pyridine-3-carboxamide
CID 55343575
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366
N-[3-(4-chloroanilino)sulfanyl-4-fluorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 156859919
N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 9097470

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide (CID 26086401) is N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is PKMDUUOQMTVYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2OS/c19-13-6-4-7-14(12-13)21-17(22)16-10-5-11-20-18(16)23-15-8-2-1-3-9-15/h1-12H,(H,21,22).
What are the key properties of N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide?
N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 340.84 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 26086401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).