N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide

C14H11FN2O2S — CID 43580569

IUPACN-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(F)c2C#N)c1
InChIInChI=1S/C14H11FN2O2S/c1-10-4-2-5-11(8-10)20(18,19)17-14-7-3-6-13(15)12(14)9-16/h2-8,17H,1H3
InChIKeyJMGYMZJLVBIVMV-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.81
Rot. Bonds3

About N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide

N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide (PubChem CID 43580569) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
PubChem CID43580569
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC NameN-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(F)c2C#N)c1
InChIInChI=1S/C14H11FN2O2S/c1-10-4-2-5-11(8-10)20(18,19)17-14-7-3-6-13(15)12(14)9-16/h2-8,17H,1H3
InChIKeyJMGYMZJLVBIVMV-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-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 60823914
4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845262
3-amino-4-bromo-N-(2-cyano-3-fluorophenyl)benzenesulfonamide
CID 115328819
5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide
CID 43580304
N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60916235
4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43580595
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79989335
3-amino-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802519
4-amino-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide
CID 61299391
N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 16773976
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
N-(4-amino-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 43550814

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide (CID 43580569) is N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc(F)c2C#N)c1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide?
The InChIKey is JMGYMZJLVBIVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c1-10-4-2-5-11(8-10)20(18,19)17-14-7-3-6-13(15)12(14)9-16/h2-8,17H,1H3.
What are the key properties of N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide?
N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide 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 N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 43580569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).