2-amino-4,5-dichlorobenzenesulfonyl chloride

C6H4Cl3NO2S — CID 12637874

IUPAC2-amino-4,5-dichlorobenzenesulfonyl chloride
SMILESNc1cc(Cl)c(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H4Cl3NO2S/c7-3-1-5(10)6(2-4(3)8)13(9,11)12/h1-2H,10H2
InChIKeyAHIKUUZQSJTSMX-UHFFFAOYSA-N
MW260.53 g/mol
LogP2.50
Rot. Bonds1

About 2-amino-4,5-dichlorobenzenesulfonyl chloride

2-amino-4,5-dichlorobenzenesulfonyl chloride (PubChem CID 12637874) has the molecular formula C6H4Cl3NO2S and a molecular weight of 260.53 g/mol. Its IUPAC name is 2-amino-4,5-dichlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-amino-4,5-dichlorobenzenesulfonyl chloride
PubChem CID12637874
Molecular FormulaC6H4Cl3NO2S
Molecular Weight260.53 g/mol
Exact Mass258.90
IUPAC Name2-amino-4,5-dichlorobenzenesulfonyl chloride
SMILESNc1cc(Cl)c(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C6H4Cl3NO2S/c7-3-1-5(10)6(2-4(3)8)13(9,11)12/h1-2H,10H2
InChIKeyAHIKUUZQSJTSMX-UHFFFAOYSA-N
XLogP2.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.53
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4,5-dichlorobenzenesulfonyl chloride 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 2-amino-4,5-dichlorobenzenesulfonyl chloride?
The IUPAC name of 2-amino-4,5-dichlorobenzenesulfonyl chloride (CID 12637874) is 2-amino-4,5-dichlorobenzenesulfonyl chloride.
What is the SMILES notation for 2-amino-4,5-dichlorobenzenesulfonyl chloride?
The canonical SMILES for 2-amino-4,5-dichlorobenzenesulfonyl chloride is Nc1cc(Cl)c(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-amino-4,5-dichlorobenzenesulfonyl chloride?
The InChIKey is AHIKUUZQSJTSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3NO2S/c7-3-1-5(10)6(2-4(3)8)13(9,11)12/h1-2H,10H2.
What are the key properties of 2-amino-4,5-dichlorobenzenesulfonyl chloride?
2-amino-4,5-dichlorobenzenesulfonyl chloride has a molecular weight of 260.53 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dichlorobenzenesulfonyl chloride is sourced from PubChem (CID 12637874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).