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

C13H13FN2O2S — CID 86768448

IUPAC5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H13FN2O2S/c1-9-3-4-11(14)7-13(9)19(17,18)16-12-5-6-15-8-10(12)2/h3-8H,1-2H3,(H,15,16)
InChIKeyLUSZVYYKYUTQQG-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.64
Rot. Bonds3

About 5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide

5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 86768448) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID86768448
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H13FN2O2S/c1-9-3-4-11(14)7-13(9)19(17,18)16-12-5-6-15-8-10(12)2/h3-8H,1-2H3,(H,15,16)
InChIKeyLUSZVYYKYUTQQG-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

5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63669848
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249
N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113267846
3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667962
4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669668
5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 106831907
N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 103862773
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
N-(2-bromo-5-fluorophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 107630794

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide (CID 86768448) is 5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide is Cc1cnccc1NS(=O)(=O)c1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is LUSZVYYKYUTQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-3-4-11(14)7-13(9)19(17,18)16-12-5-6-15-8-10(12)2/h3-8H,1-2H3,(H,15,16).
What are the key properties of 5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
5-fluoro-2-methyl-N-(3-methyl-4-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 5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 86768448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).