N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide

C15H14F3NO4S2 — CID 17487398

IUPACN-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO4S2/c1-2-24(20,21)12-9-7-11(8-10-12)19-25(22,23)14-6-4-3-5-13(14)15(16,17)18/h3-10,19H,2H2,1H3
InChIKeyGQEBFTLHNJSKKZ-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.30
Rot. Bonds5

About N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide

N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 17487398) has the molecular formula C15H14F3NO4S2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID17487398
Molecular FormulaC15H14F3NO4S2
Molecular Weight393.41 g/mol
Exact Mass393.03
IUPAC NameN-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO4S2/c1-2-24(20,21)12-9-7-11(8-10-12)19-25(22,23)14-6-4-3-5-13(14)15(16,17)18/h3-10,19H,2H2,1H3
InChIKeyGQEBFTLHNJSKKZ-UHFFFAOYSA-N
XLogP3.30
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide
CID 143195069
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride
CID 143195068
ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 5088845
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 172801513
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843
N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 60531678
4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)aniline
CID 43453365
N-(1-bromo-2-methylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 113271978
N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134137036
N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 115695455

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide (CID 17487398) is N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide is CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GQEBFTLHNJSKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4S2/c1-2-24(20,21)12-9-7-11(8-10-12)19-25(22,23)14-6-4-3-5-13(14)15(16,17)18/h3-10,19H,2H2,1H3.
What are the key properties of N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 393.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 17487398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).