N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide

C17H18F3NO2S — CID 3526040

IUPACN-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO2S/c1-16(2,3)14-6-4-5-7-15(14)21-24(22,23)13-10-8-12(9-11-13)17(18,19)20/h4-11,21H,1-3H3
InChIKeyLIGWEFAHTQZVEA-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.80
Rot. Bonds3

About N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide

N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 3526040) has the molecular formula C17H18F3NO2S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID3526040
Molecular FormulaC17H18F3NO2S
Molecular Weight357.40 g/mol
Exact Mass357.10
IUPAC NameN-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H18F3NO2S/c1-16(2,3)14-6-4-5-7-15(14)21-24(22,23)13-10-8-12(9-11-13)17(18,19)20/h4-11,21H,1-3H3
InChIKeyLIGWEFAHTQZVEA-UHFFFAOYSA-N
XLogP4.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide
CID 109061141
N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 22185560
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47074325
N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 172808620
2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
CID 11508929
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774163
N-(2,6-dichlorophenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 112769183
N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 141280125
N-(2-tert-butylphenyl)thiophene-2-sulfonamide
CID 3861926
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90626885

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide (CID 3526040) is N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide is CC(C)(C)c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is LIGWEFAHTQZVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2S/c1-16(2,3)14-6-4-5-7-15(14)21-24(22,23)13-10-8-12(9-11-13)17(18,19)20/h4-11,21H,1-3H3.
What are the key properties of N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 357.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3526040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).