(E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide

C15H12F3NO3S — CID 25335043

IUPAC(E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12F3NO3S/c16-15(17,18)22-14-9-5-4-8-13(14)19-23(20,21)11-10-12-6-2-1-3-7-12/h1-11,19H/b11-10+
InChIKeyLMXCUHBANLILDU-ZHACJKMWSA-N
MW343.33 g/mol
LogP4.00
Rot. Bonds5

About (E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide

(E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide (PubChem CID 25335043) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is (E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide
PubChem CID25335043
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC Name(E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12F3NO3S/c16-15(17,18)22-14-9-5-4-8-13(14)19-23(20,21)11-10-12-6-2-1-3-7-12/h1-11,19H/b11-10+
InChIKeyLMXCUHBANLILDU-ZHACJKMWSA-N
XLogP4.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide?
The IUPAC name of (E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide (CID 25335043) is (E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide?
The canonical SMILES for (E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of (E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide?
The InChIKey is LMXCUHBANLILDU-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c16-15(17,18)22-14-9-5-4-8-13(14)19-23(20,21)11-10-12-6-2-1-3-7-12/h1-11,19H/b11-10+.
What are the key properties of (E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide?
(E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide has a molecular weight of 343.33 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide is sourced from PubChem (CID 25335043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).