N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide

C15H11F3N2O2S — CID 125467584

IUPACN-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(C#N)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O2S/c1-10-6-7-11(9-19)13(8-10)20-23(21,22)14-5-3-2-4-12(14)15(16,17)18/h2-8,20H,1H3
InChIKeyAWYOFMQAXRHWDA-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.69
Rot. Bonds3

About N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide

N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 125467584) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID125467584
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC NameN-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(C#N)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O2S/c1-10-6-7-11(9-19)13(8-10)20-23(21,22)14-5-3-2-4-12(14)15(16,17)18/h2-8,20H,1H3
InChIKeyAWYOFMQAXRHWDA-UHFFFAOYSA-N
XLogP3.69
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 62879958
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 3667080
N-(2-cyano-5-methylphenyl)methanesulfonamide
CID 67099534
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 172801513
N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 31913927
N,N,3,4-tetramethyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 24502292
N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 61126492
4-methyl-2-(trifluoromethyl)benzonitrile
CID 2775597
5-methyl-2-[2-(trifluoromethyl)anilino]benzonitrile
CID 107926853
4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47063072

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide (CID 125467584) is N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide is Cc1ccc(C#N)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AWYOFMQAXRHWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c1-10-6-7-11(9-19)13(8-10)20-23(21,22)14-5-3-2-4-12(14)15(16,17)18/h2-8,20H,1H3.
What are the key properties of N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 340.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-5-methylphenyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 125467584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).