4-amino-2-bromobenzenesulfonamide

C6H7BrN2O2S — CID 20811416

IUPAC4-amino-2-bromobenzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)c(Br)c1
InChIInChI=1S/C6H7BrN2O2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKeyVNBOJTSKUIJYAW-UHFFFAOYSA-N
MW251.10 g/mol
LogP0.68
Rot. Bonds1

About 4-amino-2-bromobenzenesulfonamide

4-amino-2-bromobenzenesulfonamide (PubChem CID 20811416) has the molecular formula C6H7BrN2O2S and a molecular weight of 251.10 g/mol. Its IUPAC name is 4-amino-2-bromobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromobenzenesulfonamide
PubChem CID20811416
Molecular FormulaC6H7BrN2O2S
Molecular Weight251.10 g/mol
Exact Mass249.94
IUPAC Name4-amino-2-bromobenzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)c(Br)c1
InChIInChI=1S/C6H7BrN2O2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKeyVNBOJTSKUIJYAW-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromobenzenesulfonamide?
The IUPAC name of 4-amino-2-bromobenzenesulfonamide (CID 20811416) is 4-amino-2-bromobenzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromobenzenesulfonamide?
The canonical SMILES for 4-amino-2-bromobenzenesulfonamide is Nc1ccc(S(N)(=O)=O)c(Br)c1.
What is the InChIKey of 4-amino-2-bromobenzenesulfonamide?
The InChIKey is VNBOJTSKUIJYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,8H2,(H2,9,10,11).
What are the key properties of 4-amino-2-bromobenzenesulfonamide?
4-amino-2-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 4-amino-2-bromobenzenesulfonamide is sourced from PubChem (CID 20811416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).