N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride

C21H16ClNO2S — CID 39878568

IUPACN-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride
SMILESO=S(=O)(/C(=C/c1ccccc1)N=C(Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClNO2S/c22-21(18-12-6-2-7-13-18)23-20(16-17-10-4-1-5-11-17)26(24,25)19-14-8-3-9-15-19/h1-16H/b20-16+,23-21?
InChIKeyMNENQEXEEPQTDR-TVQUAPNESA-N
MW381.88 g/mol
LogP5.14
Rot. Bonds5

About N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride

N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride (PubChem CID 39878568) has the molecular formula C21H16ClNO2S and a molecular weight of 381.88 g/mol. Its IUPAC name is N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride
PubChem CID39878568
Molecular FormulaC21H16ClNO2S
Molecular Weight381.88 g/mol
Exact Mass381.06
IUPAC NameN-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride
SMILESO=S(=O)(/C(=C/c1ccccc1)N=C(Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16ClNO2S/c22-21(18-12-6-2-7-13-18)23-20(16-17-10-4-1-5-11-17)26(24,25)19-14-8-3-9-15-19/h1-16H/b20-16+,23-21?
InChIKeyMNENQEXEEPQTDR-TVQUAPNESA-N
XLogP5.14
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.88
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]benzene
CID 134986797
(Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoic acid
CID 10565275
1-(1-chloro-2-phenylethenyl)sulfonyl-4-methylbenzene
CID 819514
3-[(Z)-1-(benzenesulfonyl)-2-phenylethenyl]pyridine
CID 169237898
1-[(E)-2-(benzenesulfonyl)-2-chloroethenyl]-2-chlorobenzene
CID 42604498
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
methyl (Z)-2-(benzenesulfonyl)-3-phenylprop-2-enoate
CID 101174198
1,2-diphenylethenesulfonamide
CID 54513105
(NE,E)-N-[chloro(phenyl)methylidene]benzenecarbohydrazonoyl chloride
CID 6141172
(Z)-2-(3-methylphenyl)sulfonyl-3-phenylprop-2-enoyl chloride
CID 10758097
(1E,4E)-2-(benzenesulfonyl)-4-methyl-1-phenylhexa-1,4-dien-3-one
CID 101351311

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride?
The IUPAC name of N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride (CID 39878568) is N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride.
What is the SMILES notation for N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride?
The canonical SMILES for N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride is O=S(=O)(/C(=C/c1ccccc1)N=C(Cl)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride?
The InChIKey is MNENQEXEEPQTDR-TVQUAPNESA-N. The full InChI is InChI=1S/C21H16ClNO2S/c22-21(18-12-6-2-7-13-18)23-20(16-17-10-4-1-5-11-17)26(24,25)19-14-8-3-9-15-19/h1-16H/b20-16+,23-21?.
What are the key properties of N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride?
N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride has a molecular weight of 381.88 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(benzenesulfonyl)-2-phenylethenyl]benzenecarboximidoyl chloride is sourced from PubChem (CID 39878568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).