(E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide

C16H16FNO2S — CID 90481130

IUPAC(E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2cccc(F)c2C)cc1
InChIInChI=1S/C16H16FNO2S/c1-12-6-8-14(9-7-12)10-11-21(19,20)18-16-5-3-4-15(17)13(16)2/h3-11,18H,1-2H3/b11-10+
InChIKeyCKEUJPLWRUPRQV-ZHACJKMWSA-N
MW305.37 g/mol
LogP3.86
Rot. Bonds4

About (E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide

(E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 90481130) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is (E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide
PubChem CID90481130
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name(E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2cccc(F)c2C)cc1
InChIInChI=1S/C16H16FNO2S/c1-12-6-8-14(9-7-12)10-11-21(19,20)18-16-5-3-4-15(17)13(16)2/h3-11,18H,1-2H3/b11-10+
InChIKeyCKEUJPLWRUPRQV-ZHACJKMWSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide (CID 90481130) is (E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)Nc2cccc(F)c2C)cc1.
What is the InChIKey of (E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is CKEUJPLWRUPRQV-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-12-6-8-14(9-7-12)10-11-21(19,20)18-16-5-3-4-15(17)13(16)2/h3-11,18H,1-2H3/b11-10+.
What are the key properties of (E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 305.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-fluoro-2-methylphenyl)-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 90481130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).