2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide

C14H11FN2O2S — CID 104705303

IUPAC2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
SMILESCc1cccc(F)c1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H11FN2O2S/c1-10-5-4-7-12(15)14(10)17-20(18,19)13-8-3-2-6-11(13)9-16/h2-8,17H,1H3
InChIKeyJVAXIHGVCSBIGU-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.81
Rot. Bonds3

About 2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide

2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide (PubChem CID 104705303) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
PubChem CID104705303
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
SMILESCc1cccc(F)c1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H11FN2O2S/c1-10-5-4-7-12(15)14(10)17-20(18,19)13-8-3-2-6-11(13)9-16/h2-8,17H,1H3
InChIKeyJVAXIHGVCSBIGU-UHFFFAOYSA-N
XLogP2.81
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,6-dimethylphenyl)-2-cyanobenzenesulfonamide
CID 29271568
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 107467349
N-(6-amino-2,3-dimethylphenyl)-2-cyanobenzenesulfonamide
CID 43550582
2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2579215
N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 43330093
N-[(2-chloro-6-fluorophenyl)methyl]-2-cyanobenzenesulfonamide
CID 3451812
5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
CID 104705322
N-(3-amino-4-methylphenyl)-2-cyanobenzenesulfonamide
CID 29287347
2-cyano-N-(4-methoxy-2,5-dimethylphenyl)benzenesulfonamide
CID 110776899
2-[2-(2-fluorophenyl)ethylamino]-3-methylbenzonitrile
CID 107106323
2-fluoro-6-(2-methylphenyl)sulfonylbenzonitrile
CID 10683774
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide (CID 104705303) is 2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide is Cc1cccc(F)c1NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide?
The InChIKey is JVAXIHGVCSBIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c1-10-5-4-7-12(15)14(10)17-20(18,19)13-8-3-2-6-11(13)9-16/h2-8,17H,1H3.
What are the key properties of 2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide?
2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide has a molecular weight of 290.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 104705303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).