2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide

C14H12F2N2O3S2 — CID 134013198

IUPAC2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cccnc2SC(F)F)c1
InChIInChI=1S/C14H12F2N2O3S2/c1-23(20,21)10-5-2-4-9(8-10)18-12(19)11-6-3-7-17-13(11)22-14(15)16/h2-8,14H,1H3,(H,18,19)
InChIKeyAIWHJQWSDKSGED-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.05
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 134013198) has the molecular formula C14H12F2N2O3S2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID134013198
Molecular FormulaC14H12F2N2O3S2
Molecular Weight358.39 g/mol
Exact Mass358.03
IUPAC Name2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cccnc2SC(F)F)c1
InChIInChI=1S/C14H12F2N2O3S2/c1-23(20,21)10-5-2-4-9(8-10)18-12(19)11-6-3-7-17-13(11)22-14(15)16/h2-8,14H,1H3,(H,18,19)
InChIKeyAIWHJQWSDKSGED-UHFFFAOYSA-N
XLogP3.05
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethylsulfanyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide
CID 55992434
2-(difluoromethylsulfanyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 55947441
N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4043210
2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 80710690
2-(difluoromethylsulfanyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]pyridine-3-carboxamide
CID 24551377
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 24673103
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4290143
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide
CID 110466603
N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78901674
N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78804077
2-(difluoromethylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyridine-3-carboxamide
CID 24647229

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide (CID 134013198) is 2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2cccnc2SC(F)F)c1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is AIWHJQWSDKSGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S2/c1-23(20,21)10-5-2-4-9(8-10)18-12(19)11-6-3-7-17-13(11)22-14(15)16/h2-8,14H,1H3,(H,18,19).
What are the key properties of 2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 134013198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).