N-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide

C15H14F3NO2S — CID 697919

IUPACN-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C15H14F3NO2S/c1-10-7-8-12(9-11(10)2)19-22(20,21)14-6-4-3-5-13(14)15(16,17)18/h3-9,19H,1-2H3
InChIKeySLVHCDMUZNIWFS-UHFFFAOYSA-N
MW329.34 g/mol
LogP4.12
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide

N-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 697919) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID697919
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C15H14F3NO2S/c1-10-7-8-12(9-11(10)2)19-22(20,21)14-6-4-3-5-13(14)15(16,17)18/h3-9,19H,1-2H3
InChIKeySLVHCDMUZNIWFS-UHFFFAOYSA-N
XLogP4.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide (CID 697919) is N-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SLVHCDMUZNIWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-10-7-8-12(9-11(10)2)19-22(20,21)14-6-4-3-5-13(14)15(16,17)18/h3-9,19H,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 329.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 697919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).