N-(4-chlorophenyl)-2-ethylsulfonylethanimine

C10H12ClNO2S — CID 57184324

IUPACN-(4-chlorophenyl)-2-ethylsulfonylethanimine
SMILESCCS(=O)(=O)C/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2S/c1-2-15(13,14)8-7-12-10-5-3-9(11)4-6-10/h3-7H,2,8H2,1H3/b12-7+
InChIKeyKLQSJQFYJBHAOJ-KPKJPENVSA-N
MW245.73 g/mol
LogP2.48
Rot. Bonds4

About N-(4-chlorophenyl)-2-ethylsulfonylethanimine

N-(4-chlorophenyl)-2-ethylsulfonylethanimine (PubChem CID 57184324) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-ethylsulfonylethanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-ethylsulfonylethanimine
PubChem CID57184324
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC NameN-(4-chlorophenyl)-2-ethylsulfonylethanimine
SMILESCCS(=O)(=O)C/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2S/c1-2-15(13,14)8-7-12-10-5-3-9(11)4-6-10/h3-7H,2,8H2,1H3/b12-7+
InChIKeyKLQSJQFYJBHAOJ-KPKJPENVSA-N
XLogP2.48
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-chlorophenyl)-2-ethylsulfonylethanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-ethylsulfonylethanimine?
The IUPAC name of N-(4-chlorophenyl)-2-ethylsulfonylethanimine (CID 57184324) is N-(4-chlorophenyl)-2-ethylsulfonylethanimine.
What is the SMILES notation for N-(4-chlorophenyl)-2-ethylsulfonylethanimine?
The canonical SMILES for N-(4-chlorophenyl)-2-ethylsulfonylethanimine is CCS(=O)(=O)C/C=N/c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-ethylsulfonylethanimine?
The InChIKey is KLQSJQFYJBHAOJ-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-2-15(13,14)8-7-12-10-5-3-9(11)4-6-10/h3-7H,2,8H2,1H3/b12-7+.
What are the key properties of N-(4-chlorophenyl)-2-ethylsulfonylethanimine?
N-(4-chlorophenyl)-2-ethylsulfonylethanimine has a molecular weight of 245.73 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-ethylsulfonylethanimine is sourced from PubChem (CID 57184324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).