N-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide

C15H14F3NO2S — CID 11461630

IUPACN-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NO2S/c1-2-22(20,21)19-14-9-5-12(6-10-14)11-3-7-13(8-4-11)15(16,17)18/h3-10,19H,2H2,1H3
InChIKeyKJFJVCVWANZFNK-UHFFFAOYSA-N
MW329.34 g/mol
LogP4.13
Rot. Bonds4

About N-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide

N-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide (PubChem CID 11461630) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide
PubChem CID11461630
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NO2S/c1-2-22(20,21)19-14-9-5-12(6-10-14)11-3-7-13(8-4-11)15(16,17)18/h3-10,19H,2H2,1H3
InChIKeyKJFJVCVWANZFNK-UHFFFAOYSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide (CID 11461630) is N-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide?
The InChIKey is KJFJVCVWANZFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-2-22(20,21)19-14-9-5-12(6-10-14)11-3-7-13(8-4-11)15(16,17)18/h3-10,19H,2H2,1H3.
What are the key properties of N-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide?
N-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide has a molecular weight of 329.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 11461630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).