N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide

C13H10FN3O2S — CID 107804251

IUPACN-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ncccc2F)c1C#N
InChIInChI=1S/C13H10FN3O2S/c1-9-4-2-6-12(10(9)8-15)17-20(18,19)13-11(14)5-3-7-16-13/h2-7,17H,1H3
InChIKeyOWLANUJJSWIXCJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.20
Rot. Bonds3

About N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide

N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 107804251) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide
PubChem CID107804251
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC NameN-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ncccc2F)c1C#N
InChIInChI=1S/C13H10FN3O2S/c1-9-4-2-6-12(10(9)8-15)17-20(18,19)13-11(14)5-3-7-16-13/h2-7,17H,1H3
InChIKeyOWLANUJJSWIXCJ-UHFFFAOYSA-N
XLogP2.20
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
N-(2,5-difluoro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103585478
N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 103920662
N-(2,3-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299163
N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide
CID 107807709
N-(3-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103305047
N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103300602
N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103298617
N-(2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299090
N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300344
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300420
5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide
CID 43580304

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide (CID 107804251) is N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide is Cc1cccc(NS(=O)(=O)c2ncccc2F)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is OWLANUJJSWIXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c1-9-4-2-6-12(10(9)8-15)17-20(18,19)13-11(14)5-3-7-16-13/h2-7,17H,1H3.
What are the key properties of N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide?
N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 291.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 107804251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).