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

C14H9F6NO3S — CID 78845439

IUPAC3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H9F6NO3S/c15-13(16,17)11-6-1-2-7-12(11)21-25(22,23)10-5-3-4-9(8-10)24-14(18,19)20/h1-8,21H
InChIKeyUKOKVBBNYJBOSP-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.40
Rot. Bonds4

About 3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide

3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 78845439) has the molecular formula C14H9F6NO3S and a molecular weight of 385.29 g/mol. Its IUPAC name is 3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID78845439
Molecular FormulaC14H9F6NO3S
Molecular Weight385.29 g/mol
Exact Mass385.02
IUPAC Name3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H9F6NO3S/c15-13(16,17)11-6-1-2-7-12(11)21-25(22,23)10-5-3-4-9(8-10)24-14(18,19)20/h1-8,21H
InChIKeyUKOKVBBNYJBOSP-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

4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 122135835
N-[2-[(3,4,5-trichloroanilino)methyl]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 171344003
N-(3-oxo-1,2-dihydroisoindol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 25484304
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739
N-(3-ethynylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31783498
N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 46102118
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
3-chloro-4-fluoro-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3809875

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 78845439) is 3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1C(F)(F)F)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is UKOKVBBNYJBOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO3S/c15-13(16,17)11-6-1-2-7-12(11)21-25(22,23)10-5-3-4-9(8-10)24-14(18,19)20/h1-8,21H.
What are the key properties of 3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide?
3-(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 3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 78845439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).