2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline

C21H18ClNO2S — CID 11509241

IUPAC2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline
SMILESCNc1ccccc1/C(=C\c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18ClNO2S/c1-23-20-10-6-5-9-19(20)21(15-16-11-13-17(22)14-12-16)26(24,25)18-7-3-2-4-8-18/h2-15,23H,1H3/b21-15+
InChIKeyOENQXKCSUVKMIO-RCCKNPSSSA-N
MW383.90 g/mol
LogP5.35
Rot. Bonds5

About 2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline

2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline (PubChem CID 11509241) has the molecular formula C21H18ClNO2S and a molecular weight of 383.90 g/mol. Its IUPAC name is 2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline.

Molecular Properties

Compound Name2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline
PubChem CID11509241
Molecular FormulaC21H18ClNO2S
Molecular Weight383.90 g/mol
Exact Mass383.07
IUPAC Name2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline
SMILESCNc1ccccc1/C(=C\c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18ClNO2S/c1-23-20-10-6-5-9-19(20)21(15-16-11-13-17(22)14-12-16)26(24,25)18-7-3-2-4-8-18/h2-15,23H,1H3/b21-15+
InChIKeyOENQXKCSUVKMIO-RCCKNPSSSA-N
XLogP5.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-1-[2-(methylamino)phenyl]prop-2-en-1-one
CID 132918811
[(E)-2-(benzenesulfonyl)-3-phenylprop-2-enyl] N-(4-chlorophenyl)carbamate
CID 15407982
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
3-[(Z)-1-(benzenesulfonyl)-2-phenylethenyl]pyridine
CID 169237898
2-[[(Z)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide
CID 68782370
(E)-2-(benzenesulfonyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
CID 733311
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]benzene
CID 134986797
methyl (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoate
CID 101174198
4-chloro-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 51061578
1-[2-(4-chlorophenyl)-1-isocyanoethenyl]sulfonyl-4-methylbenzene
CID 88773968
2-(1-chloroethenyl)-N-methylaniline
CID 123755140

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline?
The IUPAC name of 2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline (CID 11509241) is 2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline.
What is the SMILES notation for 2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline?
The canonical SMILES for 2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline is CNc1ccccc1/C(=C\c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline?
The InChIKey is OENQXKCSUVKMIO-RCCKNPSSSA-N. The full InChI is InChI=1S/C21H18ClNO2S/c1-23-20-10-6-5-9-19(20)21(15-16-11-13-17(22)14-12-16)26(24,25)18-7-3-2-4-8-18/h2-15,23H,1H3/b21-15+.
What are the key properties of 2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline?
2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline has a molecular weight of 383.90 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(benzenesulfonyl)-2-(4-chlorophenyl)ethenyl]-N-methylaniline is sourced from PubChem (CID 11509241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).