chloro N-(2-sulfamoylphenyl)ethanimidate

C8H9ClN2O3S — CID 70342933

IUPACchloro N-(2-sulfamoylphenyl)ethanimidate
SMILESC/C(=N\c1ccccc1S(N)(=O)=O)OCl
InChIInChI=1S/C8H9ClN2O3S/c1-6(14-9)11-7-4-2-3-5-8(7)15(10,12)13/h2-5H,1H3,(H2,10,12,13)/b11-6+
InChIKeyAQXDSKXOJGQBTD-IZZDOVSWSA-N
MW248.69 g/mol
LogP1.55
Rot. Bonds2

About chloro N-(2-sulfamoylphenyl)ethanimidate

chloro N-(2-sulfamoylphenyl)ethanimidate (PubChem CID 70342933) has the molecular formula C8H9ClN2O3S and a molecular weight of 248.69 g/mol. Its IUPAC name is chloro N-(2-sulfamoylphenyl)ethanimidate.

Molecular Properties

Compound Namechloro N-(2-sulfamoylphenyl)ethanimidate
PubChem CID70342933
Molecular FormulaC8H9ClN2O3S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC Namechloro N-(2-sulfamoylphenyl)ethanimidate
SMILESC/C(=N\c1ccccc1S(N)(=O)=O)OCl
InChIInChI=1S/C8H9ClN2O3S/c1-6(14-9)11-7-4-2-3-5-8(7)15(10,12)13/h2-5H,1H3,(H2,10,12,13)/b11-6+
InChIKeyAQXDSKXOJGQBTD-IZZDOVSWSA-N
XLogP1.55
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze chloro N-(2-sulfamoylphenyl)ethanimidate 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 chloro N-(2-sulfamoylphenyl)ethanimidate?
The IUPAC name of chloro N-(2-sulfamoylphenyl)ethanimidate (CID 70342933) is chloro N-(2-sulfamoylphenyl)ethanimidate.
What is the SMILES notation for chloro N-(2-sulfamoylphenyl)ethanimidate?
The canonical SMILES for chloro N-(2-sulfamoylphenyl)ethanimidate is C/C(=N\c1ccccc1S(N)(=O)=O)OCl.
What is the InChIKey of chloro N-(2-sulfamoylphenyl)ethanimidate?
The InChIKey is AQXDSKXOJGQBTD-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H9ClN2O3S/c1-6(14-9)11-7-4-2-3-5-8(7)15(10,12)13/h2-5H,1H3,(H2,10,12,13)/b11-6+.
What are the key properties of chloro N-(2-sulfamoylphenyl)ethanimidate?
chloro N-(2-sulfamoylphenyl)ethanimidate has a molecular weight of 248.69 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro N-(2-sulfamoylphenyl)ethanimidate is sourced from PubChem (CID 70342933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).