4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide

C13H13FN2O2S — CID 850130

IUPAC4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-5-6-15-13(7-9)16-19(17,18)11-3-4-12(14)10(2)8-11/h3-8H,1-2H3,(H,15,16)
InChIKeyDVCBETJCZNTNCY-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.64
Rot. Bonds3

About 4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide

4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 850130) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID850130
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(F)c(C)c2)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-5-6-15-13(7-9)16-19(17,18)11-3-4-12(14)10(2)8-11/h3-8H,1-2H3,(H,15,16)
InChIKeyDVCBETJCZNTNCY-UHFFFAOYSA-N
XLogP2.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 71671396
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
N-(4-fluoro-3-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62811577
N-(4-fluoro-3-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 62812201
1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide
CID 35141950
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113032221
2,3,5,6-tetramethyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 6462198
4-[(4-methyl-2-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 30053774
4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634665
N-(4-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119948
N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 115679391
N-(2-fluoro-5-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62143380

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide (CID 850130) is 4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(F)c(C)c2)c1.
What is the InChIKey of 4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is DVCBETJCZNTNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-5-6-15-13(7-9)16-19(17,18)11-3-4-12(14)10(2)8-11/h3-8H,1-2H3,(H,15,16).
What are the key properties of 4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 850130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).