5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide

C9H9BrN2O2S — CID 65207005

IUPAC5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C9H9BrN2O2S/c1-2-5-12-15(13,14)9-6-7(11)3-4-8(9)10/h1,3-4,6,12H,5,11H2
InChIKeyYYARYEZZDKSIQO-UHFFFAOYSA-N
MW289.15 g/mol
LogP0.94
Rot. Bonds3

About 5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide

5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide (PubChem CID 65207005) has the molecular formula C9H9BrN2O2S and a molecular weight of 289.15 g/mol. Its IUPAC name is 5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide
PubChem CID65207005
Molecular FormulaC9H9BrN2O2S
Molecular Weight289.15 g/mol
Exact Mass287.96
IUPAC Name5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C9H9BrN2O2S/c1-2-5-12-15(13,14)9-6-7(11)3-4-8(9)10/h1,3-4,6,12H,5,11H2
InChIKeyYYARYEZZDKSIQO-UHFFFAOYSA-N
XLogP0.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide 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

5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453
5-amino-2-bromo-N-methylbenzenesulfonamide
CID 65201802
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107213331
3-amino-4-bromo-N-prop-2-ynylbenzenesulfonamide
CID 115328871
5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333529
5-amino-2-bromo-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108622
3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide
CID 65202243
5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840167
5-amino-2-bromo-N',N'-dimethylbenzenesulfonohydrazide
CID 83013292
5-amino-2-bromo-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65206847

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide (CID 65207005) is 5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide is C#CCNS(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is YYARYEZZDKSIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2S/c1-2-5-12-15(13,14)9-6-7(11)3-4-8(9)10/h1,3-4,6,12H,5,11H2.
What are the key properties of 5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide?
5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 289.15 g/mol, XLogP of 0.94, 3 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-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 65207005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).