2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide

C8H9Cl2N3O2S — CID 169366374

IUPAC2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C8H9Cl2N3O2S/c9-4-8(11)13-6-2-1-5(10)3-7(6)16(12,14)15/h1-3H,4H2,(H2,11,13)(H2,12,14,15)
InChIKeyAZCPZJYSJJHGBB-UHFFFAOYSA-N
MW282.15 g/mol
LogP1.21
Rot. Bonds3

About 2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide

2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide (PubChem CID 169366374) has the molecular formula C8H9Cl2N3O2S and a molecular weight of 282.15 g/mol. Its IUPAC name is 2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide
PubChem CID169366374
Molecular FormulaC8H9Cl2N3O2S
Molecular Weight282.15 g/mol
Exact Mass280.98
IUPAC Name2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C8H9Cl2N3O2S/c9-4-8(11)13-6-2-1-5(10)3-7(6)16(12,14)15/h1-3H,4H2,(H2,11,13)(H2,12,14,15)
InChIKeyAZCPZJYSJJHGBB-UHFFFAOYSA-N
XLogP1.21
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide 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

2-chloro-N'-[4-chloro-2-(4-fluorobenzoyl)phenyl]ethanimidamide
CID 169367729
2-chloro-N'-(2,3,4-trifluorophenyl)ethanimidamide
CID 169364913
2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide
CID 169369481
2-[(1-amino-2-chloroethylidene)amino]-4-chloro-N,N-dimethylbenzamide
CID 169365881
2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide
CID 169365306
8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid
CID 169368316
N'-(5-bromo-2-fluoro-4-methylsulfonylphenyl)-2-chloroethanimidamide
CID 169368286
2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide
CID 169365543
2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide
CID 169369622
N'-(4-acetyl-2-bromophenyl)-2-chloroethanimidamide
CID 169365573
2-chloro-N'-(5-chloro-2,4-difluorophenyl)ethanimidamide
CID 169365117
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide (CID 169366374) is 2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide is N/C(CCl)=N/c1ccc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide?
The InChIKey is AZCPZJYSJJHGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O2S/c9-4-8(11)13-6-2-1-5(10)3-7(6)16(12,14)15/h1-3H,4H2,(H2,11,13)(H2,12,14,15).
What are the key properties of 2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide?
2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide has a molecular weight of 282.15 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide is sourced from PubChem (CID 169366374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).