2-amino-5-bromobenzenesulfonamide

C6H7BrN2O2S — CID 820700

IUPAC2-amino-5-bromobenzenesulfonamide
SMILESNc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C6H7BrN2O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKeyBGILQOXCWMHWOM-UHFFFAOYSA-N
MW251.10 g/mol
LogP0.68
Rot. Bonds1

About 2-amino-5-bromobenzenesulfonamide

2-amino-5-bromobenzenesulfonamide (PubChem CID 820700) has the molecular formula C6H7BrN2O2S and a molecular weight of 251.10 g/mol. Its IUPAC name is 2-amino-5-bromobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromobenzenesulfonamide
PubChem CID820700
Molecular FormulaC6H7BrN2O2S
Molecular Weight251.10 g/mol
Exact Mass249.94
IUPAC Name2-amino-5-bromobenzenesulfonamide
SMILESNc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C6H7BrN2O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKeyBGILQOXCWMHWOM-UHFFFAOYSA-N
XLogP0.68
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-bromobenzenesulfonamide 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-5-bromobenzenesulfonamide?
The IUPAC name of 2-amino-5-bromobenzenesulfonamide (CID 820700) is 2-amino-5-bromobenzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromobenzenesulfonamide?
The canonical SMILES for 2-amino-5-bromobenzenesulfonamide is Nc1ccc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 2-amino-5-bromobenzenesulfonamide?
The InChIKey is BGILQOXCWMHWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H2,9,10,11).
What are the key properties of 2-amino-5-bromobenzenesulfonamide?
2-amino-5-bromobenzenesulfonamide has a molecular weight of 251.10 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromobenzenesulfonamide is sourced from PubChem (CID 820700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).