4-amino-2,5-dichlorobenzenesulfonamide

C6H6Cl2N2O2S — CID 19894846

IUPAC4-amino-2,5-dichlorobenzenesulfonamide
SMILESNc1cc(Cl)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C6H6Cl2N2O2S/c7-3-2-6(13(10,11)12)4(8)1-5(3)9/h1-2H,9H2,(H2,10,11,12)
InChIKeyLOUBHADNEPMWMA-UHFFFAOYSA-N
MW241.10 g/mol
LogP1.22
Rot. Bonds1

About 4-amino-2,5-dichlorobenzenesulfonamide

4-amino-2,5-dichlorobenzenesulfonamide (PubChem CID 19894846) has the molecular formula C6H6Cl2N2O2S and a molecular weight of 241.10 g/mol. Its IUPAC name is 4-amino-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,5-dichlorobenzenesulfonamide
PubChem CID19894846
Molecular FormulaC6H6Cl2N2O2S
Molecular Weight241.10 g/mol
Exact Mass239.95
IUPAC Name4-amino-2,5-dichlorobenzenesulfonamide
SMILESNc1cc(Cl)c(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C6H6Cl2N2O2S/c7-3-2-6(13(10,11)12)4(8)1-5(3)9/h1-2H,9H2,(H2,10,11,12)
InChIKeyLOUBHADNEPMWMA-UHFFFAOYSA-N
XLogP1.22
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2,5-dichlorobenzenesulfonamide 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 4-amino-2,5-dichlorobenzenesulfonamide?
The IUPAC name of 4-amino-2,5-dichlorobenzenesulfonamide (CID 19894846) is 4-amino-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for 4-amino-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for 4-amino-2,5-dichlorobenzenesulfonamide is Nc1cc(Cl)c(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 4-amino-2,5-dichlorobenzenesulfonamide?
The InChIKey is LOUBHADNEPMWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O2S/c7-3-2-6(13(10,11)12)4(8)1-5(3)9/h1-2H,9H2,(H2,10,11,12).
What are the key properties of 4-amino-2,5-dichlorobenzenesulfonamide?
4-amino-2,5-dichlorobenzenesulfonamide has a molecular weight of 241.10 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 19894846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).