4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide

C15H12F2N2O2S — CID 24679084

IUPAC4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H12F2N2O2S/c1-19(10-12-4-7-14(16)15(17)8-12)22(20,21)13-5-2-11(9-18)3-6-13/h2-8H,10H2,1H3
InChIKeyBSPNRLJLJBEPIQ-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.66
Rot. Bonds4

About 4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide

4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 24679084) has the molecular formula C15H12F2N2O2S and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID24679084
Molecular FormulaC15H12F2N2O2S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H12F2N2O2S/c1-19(10-12-4-7-14(16)15(17)8-12)22(20,21)13-5-2-11(9-18)3-6-13/h2-8H,10H2,1H3
InChIKeyBSPNRLJLJBEPIQ-UHFFFAOYSA-N
XLogP2.66
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(4-isocyanophenyl)methyl]-N-methylbenzenesulfonamide
CID 21029598
4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 24679086
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 3583133
3-cyano-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 175946783
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679077
2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679062
4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide
CID 55907073
4-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544726
N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692091
(4-cyanophenyl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976380
3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 39794842
1-bromo-N-[(4-cyanophenyl)methyl]-N-methylmethanesulfonamide
CID 83083709

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide (CID 24679084) is 4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is BSPNRLJLJBEPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2S/c1-19(10-12-4-7-14(16)15(17)8-12)22(20,21)13-5-2-11(9-18)3-6-13/h2-8H,10H2,1H3.
What are the key properties of 4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide?
4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 322.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 24679084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).