N-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide

C14H10F3NO2S — CID 57148024

IUPACN-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide
SMILESO=S(=O)(C=Cc1c(F)cc(F)cc1F)Nc1ccccc1
InChIInChI=1S/C14H10F3NO2S/c15-10-8-13(16)12(14(17)9-10)6-7-21(19,20)18-11-4-2-1-3-5-11/h1-9,18H
InChIKeyCCGRJNFWUBECAZ-UHFFFAOYSA-N
MW313.30 g/mol
LogP3.52
Rot. Bonds4

About N-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide

N-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide (PubChem CID 57148024) has the molecular formula C14H10F3NO2S and a molecular weight of 313.30 g/mol. Its IUPAC name is N-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide.

Molecular Properties

Compound NameN-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide
PubChem CID57148024
Molecular FormulaC14H10F3NO2S
Molecular Weight313.30 g/mol
Exact Mass313.04
IUPAC NameN-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide
SMILESO=S(=O)(C=Cc1c(F)cc(F)cc1F)Nc1ccccc1
InChIInChI=1S/C14H10F3NO2S/c15-10-8-13(16)12(14(17)9-10)6-7-21(19,20)18-11-4-2-1-3-5-11/h1-9,18H
InChIKeyCCGRJNFWUBECAZ-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide?
The IUPAC name of N-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide (CID 57148024) is N-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide.
What is the SMILES notation for N-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide?
The canonical SMILES for N-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide is O=S(=O)(C=Cc1c(F)cc(F)cc1F)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide?
The InChIKey is CCGRJNFWUBECAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2S/c15-10-8-13(16)12(14(17)9-10)6-7-21(19,20)18-11-4-2-1-3-5-11/h1-9,18H.
What are the key properties of N-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide?
N-phenyl-2-(2,4,6-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 N-phenyl-2-(2,4,6-trifluorophenyl)ethenesulfonamide is sourced from PubChem (CID 57148024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).