4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

C14H9F6NO3S — CID 3813923

IUPAC4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9F6NO3S/c15-13(16,17)11-3-1-2-4-12(11)21-25(22,23)10-7-5-9(6-8-10)24-14(18,19)20/h1-8,21H
InChIKeyQVOPFLHZAVDRDL-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.40
Rot. Bonds4

About 4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3813923) has the molecular formula C14H9F6NO3S and a molecular weight of 385.29 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3813923
Molecular FormulaC14H9F6NO3S
Molecular Weight385.29 g/mol
Exact Mass385.02
IUPAC Name4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9F6NO3S/c15-13(16,17)11-3-1-2-4-12(11)21-25(22,23)10-7-5-9(6-8-10)24-14(18,19)20/h1-8,21H
InChIKeyQVOPFLHZAVDRDL-UHFFFAOYSA-N
XLogP4.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
N-tert-butyl-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 17154391
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774163
N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936966
methyl (Z)-3-[4-[[2-(trifluoromethyl)phenyl]sulfamoyl]phenyl]prop-2-enoate
CID 97359671
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3809875
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 58565471
4-(cyclopropanecarbonyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 110423293

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3813923) is 4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is QVOPFLHZAVDRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO3S/c15-13(16,17)11-3-1-2-4-12(11)21-25(22,23)10-7-5-9(6-8-10)24-14(18,19)20/h1-8,21H.
What are the key properties of 4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 385.29 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3813923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).