N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide

C14H10F2N2O2S — CID 62983286

IUPACN-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2O2S/c1-18(12-5-2-10(9-17)3-6-12)21(19,20)14-7-4-11(15)8-13(14)16/h2-8H,1H3
InChIKeyLEDOQCBNBUOVGJ-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.66
Rot. Bonds3

About N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide

N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 62983286) has the molecular formula C14H10F2N2O2S and a molecular weight of 308.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide
PubChem CID62983286
Molecular FormulaC14H10F2N2O2S
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC NameN-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2O2S/c1-18(12-5-2-10(9-17)3-6-12)21(19,20)14-7-4-11(15)8-13(14)16/h2-8H,1H3
InChIKeyLEDOQCBNBUOVGJ-UHFFFAOYSA-N
XLogP2.66
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 107650281
N-(5-bromo-3-pyridinyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 90042168
4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733356
2-amino-N-(3-cyanophenyl)-5-fluoro-N-methylbenzenesulfonamide
CID 62982457
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001878
2-amino-5-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733378
4-cyano-2-fluorobenzenesulfonic acid
CID 58462884
4-[(2,5-difluorophenyl)methyl-methylamino]benzonitrile
CID 62981738
2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 103988558
2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 51099020
N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide (CID 62983286) is N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide is CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is LEDOQCBNBUOVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2S/c1-18(12-5-2-10(9-17)3-6-12)21(19,20)14-7-4-11(15)8-13(14)16/h2-8H,1H3.
What are the key properties of N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide?
N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 308.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 62983286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).