5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide

C9H13BrN2O3S — CID 107213331

IUPAC5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@H](O)CNS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C9H13BrN2O3S/c1-6(13)5-12-16(14,15)9-4-7(11)2-3-8(9)10/h2-4,6,12-13H,5,11H2,1H3/t6-/m0/s1
InChIKeyGYGOMJUGTGDCAI-LURJTMIESA-N
MW309.19 g/mol
LogP0.69
Rot. Bonds4

About 5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide

5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 107213331) has the molecular formula C9H13BrN2O3S and a molecular weight of 309.19 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
PubChem CID107213331
Molecular FormulaC9H13BrN2O3S
Molecular Weight309.19 g/mol
Exact Mass307.98
IUPAC Name5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@H](O)CNS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C9H13BrN2O3S/c1-6(13)5-12-16(14,15)9-4-7(11)2-3-8(9)10/h2-4,6,12-13H,5,11H2,1H3/t6-/m0/s1
InChIKeyGYGOMJUGTGDCAI-LURJTMIESA-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

5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
5-amino-2-bromo-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 65206649
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 65201907
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694
4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 93081252
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
2,5-dibromo-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 83030925
5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide
CID 65207005
5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247723
4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036761
5-amino-2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140415

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide (CID 107213331) is 5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide is C[C@H](O)CNS(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is GYGOMJUGTGDCAI-LURJTMIESA-N. The full InChI is InChI=1S/C9H13BrN2O3S/c1-6(13)5-12-16(14,15)9-4-7(11)2-3-8(9)10/h2-4,6,12-13H,5,11H2,1H3/t6-/m0/s1.
What are the key properties of 5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
5-amino-2-bromo-N-[(2S)-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 5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 107213331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).