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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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).