(E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide

C15H13F2NO2S — CID 60532924

IUPAC(E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C15H13F2NO2S/c1-11-5-7-12(8-6-11)9-10-21(19,20)18-15-13(16)3-2-4-14(15)17/h2-10,18H,1H3/b10-9+
InChIKeyFRDBLIGLACSACF-MDZDMXLPSA-N
MW309.34 g/mol
LogP3.69
Rot. Bonds4

About (E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide

(E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 60532924) has the molecular formula C15H13F2NO2S and a molecular weight of 309.34 g/mol. Its IUPAC name is (E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
PubChem CID60532924
Molecular FormulaC15H13F2NO2S
Molecular Weight309.34 g/mol
Exact Mass309.06
IUPAC Name(E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C15H13F2NO2S/c1-11-5-7-12(8-6-11)9-10-21(19,20)18-15-13(16)3-2-4-14(15)17/h2-10,18H,1H3/b10-9+
InChIKeyFRDBLIGLACSACF-MDZDMXLPSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide (CID 60532924) is (E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of (E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is FRDBLIGLACSACF-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H13F2NO2S/c1-11-5-7-12(8-6-11)9-10-21(19,20)18-15-13(16)3-2-4-14(15)17/h2-10,18H,1H3/b10-9+.
What are the key properties of (E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 309.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-difluorophenyl)-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 60532924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).