2-fluoro-4-(4-methylsulfonylanilino)benzonitrile

C14H11FN2O2S — CID 115367088

IUPAC2-fluoro-4-(4-methylsulfonylanilino)benzonitrile
SMILESCS(=O)(=O)c1ccc(Nc2ccc(C#N)c(F)c2)cc1
InChIInChI=1S/C14H11FN2O2S/c1-20(18,19)13-6-4-11(5-7-13)17-12-3-2-10(9-16)14(15)8-12/h2-8,17H,1H3
InChIKeyDCEZBIRASWWPCE-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.84
Rot. Bonds3

About 2-fluoro-4-(4-methylsulfonylanilino)benzonitrile

2-fluoro-4-(4-methylsulfonylanilino)benzonitrile (PubChem CID 115367088) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylsulfonylanilino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(4-methylsulfonylanilino)benzonitrile
PubChem CID115367088
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name2-fluoro-4-(4-methylsulfonylanilino)benzonitrile
SMILESCS(=O)(=O)c1ccc(Nc2ccc(C#N)c(F)c2)cc1
InChIInChI=1S/C14H11FN2O2S/c1-20(18,19)13-6-4-11(5-7-13)17-12-3-2-10(9-16)14(15)8-12/h2-8,17H,1H3
InChIKeyDCEZBIRASWWPCE-UHFFFAOYSA-N
XLogP2.84
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(4-methylsulfonylanilino)benzonitrile
CID 62302949
4-(3,4-dimethylanilino)-2-fluorobenzonitrile
CID 113295516
2-bromo-3-fluoro-4-(4-methylsulfonylanilino)benzonitrile
CID 107533146
4-cyano-3-fluoro-N-methylbenzenesulfonamide
CID 126776790
2-fluoro-4-(3-fluoro-2-methylanilino)benzonitrile
CID 113295636
2-fluoro-4-(3-iodoanilino)benzonitrile
CID 113295528
5-(4-methylsulfonylanilino)-1H-pyrazole-4-carbonitrile
CID 58285154
4-cyano-3-fluorobenzenesulfonyl chloride
CID 55280880
4-(4-bromo-3-methoxyanilino)-2-fluorobenzonitrile
CID 82867493
4-(2,5-dimethylanilino)-2-fluorobenzonitrile
CID 115367051
4-(1,3-benzodioxol-5-ylamino)-2-fluorobenzonitrile
CID 115367105
2-fluoro-4-(propylamino)benzonitrile
CID 115366947

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylsulfonylanilino)benzonitrile?
The IUPAC name of 2-fluoro-4-(4-methylsulfonylanilino)benzonitrile (CID 115367088) is 2-fluoro-4-(4-methylsulfonylanilino)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(4-methylsulfonylanilino)benzonitrile?
The canonical SMILES for 2-fluoro-4-(4-methylsulfonylanilino)benzonitrile is CS(=O)(=O)c1ccc(Nc2ccc(C#N)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methylsulfonylanilino)benzonitrile?
The InChIKey is DCEZBIRASWWPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c1-20(18,19)13-6-4-11(5-7-13)17-12-3-2-10(9-16)14(15)8-12/h2-8,17H,1H3.
What are the key properties of 2-fluoro-4-(4-methylsulfonylanilino)benzonitrile?
2-fluoro-4-(4-methylsulfonylanilino)benzonitrile has a molecular weight of 290.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylsulfonylanilino)benzonitrile is sourced from PubChem (CID 115367088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).