(E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide

C14H10F3NO2S — CID 26969723

IUPAC(E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3NO2S/c15-11-6-7-12(14(17)13(11)16)18-21(19,20)9-8-10-4-2-1-3-5-10/h1-9,18H/b9-8+
InChIKeyHHZWUHQNAIVLAV-CMDGGOBGSA-N
MW313.30 g/mol
LogP3.52
Rot. Bonds4

About (E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide

(E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide (PubChem CID 26969723) has the molecular formula C14H10F3NO2S and a molecular weight of 313.30 g/mol. Its IUPAC name is (E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide
PubChem CID26969723
Molecular FormulaC14H10F3NO2S
Molecular Weight313.30 g/mol
Exact Mass313.04
IUPAC Name(E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3NO2S/c15-11-6-7-12(14(17)13(11)16)18-21(19,20)9-8-10-4-2-1-3-5-10/h1-9,18H/b9-8+
InChIKeyHHZWUHQNAIVLAV-CMDGGOBGSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide?
The IUPAC name of (E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide (CID 26969723) is (E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide?
The canonical SMILES for (E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide?
The InChIKey is HHZWUHQNAIVLAV-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H10F3NO2S/c15-11-6-7-12(14(17)13(11)16)18-21(19,20)9-8-10-4-2-1-3-5-10/h1-9,18H/b9-8+.
What are the key properties of (E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide?
(E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide has a molecular weight of 313.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-(2,3,4-trifluorophenyl)ethenesulfonamide is sourced from PubChem (CID 26969723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).