3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide

C13H13FN2O2S — CID 103299052

IUPAC3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ncccc2F)cc1
InChIInChI=1S/C13H13FN2O2S/c1-10-4-6-11(7-5-10)9-16-19(17,18)13-12(14)3-2-8-15-13/h2-8,16H,9H2,1H3
InChIKeyKMGOWAAHOUEFDR-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.01
Rot. Bonds4

About 3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide

3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide (PubChem CID 103299052) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
PubChem CID103299052
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ncccc2F)cc1
InChIInChI=1S/C13H13FN2O2S/c1-10-4-6-11(7-5-10)9-16-19(17,18)13-12(14)3-2-8-15-13/h2-8,16H,9H2,1H3
InChIKeyKMGOWAAHOUEFDR-UHFFFAOYSA-N
XLogP2.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-fluoropyridine-2-sulfonamide
CID 103299072
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoropyridine-2-sulfonamide
CID 107233950
N-[[3-(bromomethyl)phenyl]methyl]-3-fluoropyridine-2-sulfonamide
CID 103308357
3-fluoro-N-[(2-hydroxyphenyl)methyl]pyridine-2-sulfonamide
CID 103300513
N-(2-amino-2-methylpropyl)-3-fluoropyridine-2-sulfonamide
CID 103302638
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
N-(2-ethoxyethyl)-3-fluoropyridine-2-sulfonamide
CID 103299268
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143
N-[2-(ethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175137
ethyl 2-[(3-fluoro-2-pyridinyl)sulfonylamino]acetate
CID 103299284
3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide
CID 103300164
N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
CID 103308428

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide (CID 103299052) is 3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide is Cc1ccc(CNS(=O)(=O)c2ncccc2F)cc1.
What is the InChIKey of 3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide?
The InChIKey is KMGOWAAHOUEFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-10-4-6-11(7-5-10)9-16-19(17,18)13-12(14)3-2-8-15-13/h2-8,16H,9H2,1H3.
What are the key properties of 3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide?
3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide has a molecular weight of 280.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-methylphenyl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103299052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).