2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride

C7H10BrClN2O2S — CID 138040052

IUPAC2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(Br)ccc1N.Cl
InChIInChI=1S/C7H9BrN2O2S.ClH/c1-10-13(11,12)7-4-5(8)2-3-6(7)9;/h2-4,10H,9H2,1H3;1H
InChIKeyIWEQOFOCYZRZOE-UHFFFAOYSA-N
MW301.59 g/mol
LogP1.36
Rot. Bonds2

About 2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride

2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 138040052) has the molecular formula C7H10BrClN2O2S and a molecular weight of 301.59 g/mol. Its IUPAC name is 2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride
PubChem CID138040052
Molecular FormulaC7H10BrClN2O2S
Molecular Weight301.59 g/mol
Exact Mass299.93
IUPAC Name2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(Br)ccc1N.Cl
InChIInChI=1S/C7H9BrN2O2S.ClH/c1-10-13(11,12)7-4-5(8)2-3-6(7)9;/h2-4,10H,9H2,1H3;1H
InChIKeyIWEQOFOCYZRZOE-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.59
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Amino-3-bromobenzene-1-sulfonamide
CID 3526523
4'-Bromobenzenesulfonanilide
CID 293101
3-amino-N-(4-bromophenyl)benzene-1-sulfonamide
CID 3568545
2-amino-N-methylbenzene-1-sulfonamide
CID 1132840
2-Amino-5-bromobenzenesulfonamide
CID 820700
2-Amino-4-bromobenzene-1-sulfonamide
CID 12452495
4-amino-N-(4-bromophenyl)benzenesulfonamide
CID 3544666
3-bromo-N-phenylbenzenesulfonamide
CID 8190068
2-Amino-6-bromobenzene-1-sulfonamide
CID 12528493
4-Bromo-2-methanesulfonylaniline
CID 65341909
2-amino-N-(4-bromophenyl)-5-fluorobenzene-1-sulfonamide
CID 2405947
2-Amino-5-bromobenzene-1-thiol hydrochloride
CID 137701502

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride (CID 138040052) is 2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride is CNS(=O)(=O)c1cc(Br)ccc1N.Cl.
What is the InChIKey of 2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is IWEQOFOCYZRZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S.ClH/c1-10-13(11,12)7-4-5(8)2-3-6(7)9;/h2-4,10H,9H2,1H3;1H.
What are the key properties of 2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride?
2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 301.59 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 138040052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).