(E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine

C16H17NO2S — CID 24972823

IUPAC(E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine
SMILESCN/C(=C/S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H17NO2S/c1-13-8-10-15(11-9-13)20(18,19)12-16(17-2)14-6-4-3-5-7-14/h3-12,17H,1-2H3/b16-12+
InChIKeyCXTVLUSZCBBYCA-FOWTUZBSSA-N
MW287.38 g/mol
LogP2.99
Rot. Bonds4

About (E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine

(E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine (PubChem CID 24972823) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine.

Molecular Properties

Compound Name(E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine
PubChem CID24972823
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine
SMILESCN/C(=C/S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C16H17NO2S/c1-13-8-10-15(11-9-13)20(18,19)12-16(17-2)14-6-4-3-5-7-14/h3-12,17H,1-2H3/b16-12+
InChIKeyCXTVLUSZCBBYCA-FOWTUZBSSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
CID 102129637
N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide
CID 162400578
1-methyl-4-[(Z)-2-phenyl-2-phenyltellanylethenyl]sulfonylbenzene
CID 10671713
[1-benzamido-2-(4-methylphenyl)sulfonylethenyl]-triphenylphosphanium
CID 3282028
[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
1-(2,2-dichloroethenylsulfonyl)-4-methylbenzene
CID 586997
(1Z,3E)-1-(4-methylphenyl)sulfonyl-4-phenylbuta-1,3-dien-2-olate
CID 134098337
2-methyl-3-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]-1H-indole
CID 101497449
3-[(E)-1-chloro-2-(4-methylphenyl)sulfonylethenyl]pyridine
CID 141461205
1-methyl-4-(2-methylbuta-1,3-dienylsulfonyl)benzene
CID 85299579
2-methyl-3-(4-methylphenyl)sulfonylprop-2-en-1-ol
CID 14296310
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine?
The IUPAC name of (E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine (CID 24972823) is (E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine.
What is the SMILES notation for (E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine?
The canonical SMILES for (E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine is CN/C(=C/S(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of (E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine?
The InChIKey is CXTVLUSZCBBYCA-FOWTUZBSSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-13-8-10-15(11-9-13)20(18,19)12-16(17-2)14-6-4-3-5-7-14/h3-12,17H,1-2H3/b16-12+.
What are the key properties of (E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine?
(E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine has a molecular weight of 287.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2-(4-methylphenyl)sulfonyl-1-phenylethenamine is sourced from PubChem (CID 24972823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).