2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide

C9H13BrN2O3S — CID 43498694

IUPAC2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C9H13BrN2O3S/c1-6(13)5-12-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5,11H2,1H3
InChIKeyOMEBUKYYNNJMSL-UHFFFAOYSA-N
MW309.19 g/mol
LogP0.69
Rot. Bonds4

About 2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide

2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide (PubChem CID 43498694) has the molecular formula C9H13BrN2O3S and a molecular weight of 309.19 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
PubChem CID43498694
Molecular FormulaC9H13BrN2O3S
Molecular Weight309.19 g/mol
Exact Mass307.98
IUPAC Name2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C9H13BrN2O3S/c1-6(13)5-12-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5,11H2,1H3
InChIKeyOMEBUKYYNNJMSL-UHFFFAOYSA-N
XLogP0.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700584
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
CID 107213320
5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107213331
2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 93081235
2-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247565
2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64629578
5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 107213312
2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
CID 43258160
2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66089868
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide (CID 43498694) is 2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide is CC(O)CNS(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide?
The InChIKey is OMEBUKYYNNJMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3S/c1-6(13)5-12-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5,11H2,1H3.
What are the key properties of 2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide?
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide has a molecular weight of 309.19 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 43498694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).