(E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide

C17H18FNO2S — CID 90481095

IUPAC(E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
SMILESCc1cc(C)c(/C=C/S(=O)(=O)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H18FNO2S/c1-12-10-13(2)17(14(3)11-12)8-9-22(20,21)19-16-6-4-15(18)5-7-16/h4-11,19H,1-3H3/b9-8+
InChIKeyUTQCXTKAXYYGKJ-CMDGGOBGSA-N
MW319.40 g/mol
LogP4.16
Rot. Bonds4

About (E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide

(E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide (PubChem CID 90481095) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is (E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
PubChem CID90481095
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name(E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide
SMILESCc1cc(C)c(/C=C/S(=O)(=O)Nc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H18FNO2S/c1-12-10-13(2)17(14(3)11-12)8-9-22(20,21)19-16-6-4-15(18)5-7-16/h4-11,19H,1-3H3/b9-8+
InChIKeyUTQCXTKAXYYGKJ-CMDGGOBGSA-N
XLogP4.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide (CID 90481095) is (E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide is Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccc(F)cc2)c(C)c1.
What is the InChIKey of (E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The InChIKey is UTQCXTKAXYYGKJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-12-10-13(2)17(14(3)11-12)8-9-22(20,21)19-16-6-4-15(18)5-7-16/h4-11,19H,1-3H3/b9-8+.
What are the key properties of (E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
(E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide has a molecular weight of 319.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethenesulfonamide is sourced from PubChem (CID 90481095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).