4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide

C14H11FN2O2S — CID 8501259

IUPAC4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1F
InChIInChI=1S/C14H11FN2O2S/c1-10-2-5-12(8-14(10)15)17-20(18,19)13-6-3-11(9-16)4-7-13/h2-8,17H,1H3
InChIKeyHQTBAMIHSUIWOY-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.81
Rot. Bonds3

About 4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide

4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide (PubChem CID 8501259) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
PubChem CID8501259
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1F
InChIInChI=1S/C14H11FN2O2S/c1-10-2-5-12(8-14(10)15)17-20(18,19)13-6-3-11(9-16)4-7-13/h2-8,17H,1H3
InChIKeyHQTBAMIHSUIWOY-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

4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 115602143
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
4-butan-2-yl-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 22774481
4-cyano-N-(1,4-dimethyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118933137
N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326514
N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
CID 43551091
3-(aminomethyl)-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 107482637

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide (CID 8501259) is 4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1F.
What is the InChIKey of 4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
The InChIKey is HQTBAMIHSUIWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c1-10-2-5-12(8-14(10)15)17-20(18,19)13-6-3-11(9-16)4-7-13/h2-8,17H,1H3.
What are the key properties of 4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide?
4-cyano-N-(3-fluoro-4-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 4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 8501259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).