3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide

C15H13FN2O2S — CID 63235864

IUPAC3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(F)c(C#N)c2)cc1
InChIInChI=1S/C15H13FN2O2S/c1-11-3-5-13(6-4-11)18(2)21(19,20)14-7-8-15(16)12(9-14)10-17/h3-9H,1-2H3
InChIKeyBHHAVGSPPWJGAC-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.83
Rot. Bonds3

About 3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide

3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 63235864) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID63235864
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccc(F)c(C#N)c2)cc1
InChIInChI=1S/C15H13FN2O2S/c1-11-3-5-13(6-4-11)18(2)21(19,20)14-7-8-15(16)12(9-14)10-17/h3-9H,1-2H3
InChIKeyBHHAVGSPPWJGAC-UHFFFAOYSA-N
XLogP2.83
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
3-cyano-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 115902750
2-fluoro-5-(4-methylphenyl)benzonitrile
CID 164513731
4-bromo-N-(4-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 107650281
N-(3,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1294762
5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 106268008
2-[(3-cyano-4-fluorophenyl)sulfonyl-methylamino]butanoic acid
CID 63288354
3-cyano-4-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 175946783
N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
3-cyano-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 63239745
N-(2-amino-5-methylphenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 115912283

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide (CID 63235864) is 3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(C)S(=O)(=O)c2ccc(F)c(C#N)c2)cc1.
What is the InChIKey of 3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is BHHAVGSPPWJGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-11-3-5-13(6-4-11)18(2)21(19,20)14-7-8-15(16)12(9-14)10-17/h3-9H,1-2H3.
What are the key properties of 3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 304.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 63235864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).