N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide

C15H14F3NO2S — CID 118346578

IUPACN-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H14F3NO2S/c1-2-11-4-3-5-13(10-11)19-22(20,21)14-8-6-12(7-9-14)15(16,17)18/h3-10,19H,2H2,1H3
InChIKeyQYWDTDIMZHZXOW-UHFFFAOYSA-N
MW329.34 g/mol
LogP4.07
Rot. Bonds4

About N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide

N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 118346578) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID118346578
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H14F3NO2S/c1-2-11-4-3-5-13(10-11)19-22(20,21)14-8-6-12(7-9-14)15(16,17)18/h3-10,19H,2H2,1H3
InChIKeyQYWDTDIMZHZXOW-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 8842839
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
3-[2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid;3-[2-[4-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid
CID 157114647
4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774180
4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide
CID 60641368
N-(3-ethylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 164745289
6-amino-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 62144898
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
N-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 23579193
4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2105846
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide (CID 118346578) is N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide is CCc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QYWDTDIMZHZXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-2-11-4-3-5-13(10-11)19-22(20,21)14-8-6-12(7-9-14)15(16,17)18/h3-10,19H,2H2,1H3.
What are the key properties of N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 329.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118346578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).