3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide

C14H9ClF2N2O2S — CID 51092863

IUPAC3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1c(F)cccc1F)S(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C14H9ClF2N2O2S/c1-19(14-12(16)3-2-4-13(14)17)22(20,21)10-6-5-9(8-18)11(15)7-10/h2-7H,1H3
InChIKeyFAMHXVJZVANCLP-UHFFFAOYSA-N
MW342.75 g/mol
LogP3.31
Rot. Bonds3

About 3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide

3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide (PubChem CID 51092863) has the molecular formula C14H9ClF2N2O2S and a molecular weight of 342.75 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide
PubChem CID51092863
Molecular FormulaC14H9ClF2N2O2S
Molecular Weight342.75 g/mol
Exact Mass342.00
IUPAC Name3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1c(F)cccc1F)S(=O)(=O)c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C14H9ClF2N2O2S/c1-19(14-12(16)3-2-4-13(14)17)22(20,21)10-6-5-9(8-18)11(15)7-10/h2-7H,1H3
InChIKeyFAMHXVJZVANCLP-UHFFFAOYSA-N
XLogP3.31
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 47359938
3-chloro-4-cyano-N-methyl-N-propylbenzenesulfonamide
CID 112687657
3-chloro-4-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 115588788
3-chloro-4-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 115591023
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide
CID 113370449
3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 115588749
3-chloro-4-cyano-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102993327
3-chloro-4-cyano-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 112547861
3-chloro-4-cyano-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356116
4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 107650335
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide (CID 51092863) is 3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide is CN(c1c(F)cccc1F)S(=O)(=O)c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide?
The InChIKey is FAMHXVJZVANCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O2S/c1-19(14-12(16)3-2-4-13(14)17)22(20,21)10-6-5-9(8-18)11(15)7-10/h2-7H,1H3.
What are the key properties of 3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide?
3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide has a molecular weight of 342.75 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 51092863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).