4-amino-2,6-dichlorobenzenesulfonamide

C6H6Cl2N2O2S — CID 22050186

IUPAC4-amino-2,6-dichlorobenzenesulfonamide
SMILESNc1cc(Cl)c(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C6H6Cl2N2O2S/c7-4-1-3(9)2-5(8)6(4)13(10,11)12/h1-2H,9H2,(H2,10,11,12)
InChIKeyIRLWHMGMHIJQJP-UHFFFAOYSA-N
MW241.10 g/mol
LogP1.22
Rot. Bonds1

About 4-amino-2,6-dichlorobenzenesulfonamide

4-amino-2,6-dichlorobenzenesulfonamide (PubChem CID 22050186) has the molecular formula C6H6Cl2N2O2S and a molecular weight of 241.10 g/mol. Its IUPAC name is 4-amino-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichlorobenzenesulfonamide
PubChem CID22050186
Molecular FormulaC6H6Cl2N2O2S
Molecular Weight241.10 g/mol
Exact Mass239.95
IUPAC Name4-amino-2,6-dichlorobenzenesulfonamide
SMILESNc1cc(Cl)c(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C6H6Cl2N2O2S/c7-4-1-3(9)2-5(8)6(4)13(10,11)12/h1-2H,9H2,(H2,10,11,12)
InChIKeyIRLWHMGMHIJQJP-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichlorobenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichlorobenzenesulfonamide (CID 22050186) is 4-amino-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichlorobenzenesulfonamide is Nc1cc(Cl)c(S(N)(=O)=O)c(Cl)c1.
What is the InChIKey of 4-amino-2,6-dichlorobenzenesulfonamide?
The InChIKey is IRLWHMGMHIJQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O2S/c7-4-1-3(9)2-5(8)6(4)13(10,11)12/h1-2H,9H2,(H2,10,11,12).
What are the key properties of 4-amino-2,6-dichlorobenzenesulfonamide?
4-amino-2,6-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-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 22050186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).