5-amino-2-bromo-N-methylbenzenesulfonamide

C7H9BrN2O2S — CID 65201802

IUPAC5-amino-2-bromo-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C7H9BrN2O2S/c1-10-13(11,12)7-4-5(9)2-3-6(7)8/h2-4,10H,9H2,1H3
InChIKeyUNRYJEQHMFYIEH-UHFFFAOYSA-N
MW265.13 g/mol
LogP0.94
Rot. Bonds2

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

5-amino-2-bromo-N-methylbenzenesulfonamide (PubChem CID 65201802) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is 5-amino-2-bromo-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-methylbenzenesulfonamide
PubChem CID65201802
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC Name5-amino-2-bromo-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C7H9BrN2O2S/c1-10-13(11,12)7-4-5(9)2-3-6(7)8/h2-4,10H,9H2,1H3
InChIKeyUNRYJEQHMFYIEH-UHFFFAOYSA-N
XLogP0.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83013292
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
5-amino-2-hydroxy-N-methylbenzenesulfonamide
CID 75525559
5-amino-2-bromo-N-(2-methylcyclopropyl)benzenesulfonamide
CID 65207075
5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide
CID 65207005
5-amino-2-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65206847
5-amino-2-(4-bromo-3-chloroanilino)-N-methylbenzenesulfonamide
CID 107618570
5-amino-2-bromo-N-(2,6-difluorophenyl)benzenesulfonamide
CID 65202383
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477
5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107213331
methyl 2-[(5-amino-2-bromophenyl)sulfonylamino]propanoate
CID 65206495

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-methylbenzenesulfonamide (CID 65201802) is 5-amino-2-bromo-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-methylbenzenesulfonamide?
The InChIKey is UNRYJEQHMFYIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c1-10-13(11,12)7-4-5(9)2-3-6(7)8/h2-4,10H,9H2,1H3.
What are the key properties of 5-amino-2-bromo-N-methylbenzenesulfonamide?
5-amino-2-bromo-N-methylbenzenesulfonamide has a molecular weight of 265.13 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-methylbenzenesulfonamide is sourced from PubChem (CID 65201802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).