4-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C13H10F3NO2S — CID 23625979

IUPAC4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C13H10F3NO2S/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(17,18)19/h1-8H,(H2,17,18,19)
InChIKeyWWPFVDFIDSAULR-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.02
Rot. Bonds2

About 4-[4-(trifluoromethyl)phenyl]benzenesulfonamide

4-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 23625979) has the molecular formula C13H10F3NO2S and a molecular weight of 301.29 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID23625979
Molecular FormulaC13H10F3NO2S
Molecular Weight301.29 g/mol
Exact Mass301.04
IUPAC Name4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C13H10F3NO2S/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(17,18)19/h1-8H,(H2,17,18,19)
InChIKeyWWPFVDFIDSAULR-UHFFFAOYSA-N
XLogP3.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 23625979) is 4-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is WWPFVDFIDSAULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2S/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(17,18)19/h1-8H,(H2,17,18,19).
What are the key properties of 4-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
4-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 301.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 23625979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).