3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C13H8F5NO2S — CID 26970283

IUPAC3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H8F5NO2S/c14-9-5-10(15)7-12(6-9)22(20,21)19-11-3-1-8(2-4-11)13(16,17)18/h1-7,19H
InChIKeyRMRIAQTZDQEWPE-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.78
Rot. Bonds3

About 3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 26970283) has the molecular formula C13H8F5NO2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID26970283
Molecular FormulaC13H8F5NO2S
Molecular Weight337.27 g/mol
Exact Mass337.02
IUPAC Name3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H8F5NO2S/c14-9-5-10(15)7-12(6-9)22(20,21)19-11-3-1-8(2-4-11)13(16,17)18/h1-7,19H
InChIKeyRMRIAQTZDQEWPE-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
4-bromo-3-fluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 97161992
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide
CID 24663107
N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 26950039
N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26667215
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
3,5-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259712
N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide
CID 43604908
2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110423453
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 26970283) is 3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is RMRIAQTZDQEWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NO2S/c14-9-5-10(15)7-12(6-9)22(20,21)19-11-3-1-8(2-4-11)13(16,17)18/h1-7,19H.
What are the key properties of 3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 26970283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).