2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide

C9H12Br2N2O3S — CID 93081235

IUPAC2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@H](O)CNS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C9H12Br2N2O3S/c1-5(14)4-13-17(15,16)9-7(11)2-6(10)3-8(9)12/h2-3,5,13-14H,4,12H2,1H3/t5-/m0/s1
InChIKeyHIXMCHWFSQVUBP-YFKPBYRVSA-N
MW388.08 g/mol
LogP1.45
Rot. Bonds4

About 2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide

2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 93081235) has the molecular formula C9H12Br2N2O3S and a molecular weight of 388.08 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
PubChem CID93081235
Molecular FormulaC9H12Br2N2O3S
Molecular Weight388.08 g/mol
Exact Mass385.89
IUPAC Name2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@H](O)CNS(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C9H12Br2N2O3S/c1-5(14)4-13-17(15,16)9-7(11)2-6(10)3-8(9)12/h2-3,5,13-14H,4,12H2,1H3/t5-/m0/s1
InChIKeyHIXMCHWFSQVUBP-YFKPBYRVSA-N
XLogP1.45
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.08
LogP ≤ 51.45
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-hydroxypropyl)benzenesulfonamide
CID 43498694
2-amino-4,6-dibromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93081298
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide
CID 43310321
2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61125249
2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758514
2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62635948
5-[(2-amino-4,6-dibromophenyl)sulfonylamino]pentanamide
CID 106233643
2-amino-4,6-dibromo-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63983511
2-amino-4,6-dibromo-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 43257721
5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107213331
2-amino-4,6-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498629
2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide
CID 62198326

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide (CID 93081235) is 2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide is C[C@H](O)CNS(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is HIXMCHWFSQVUBP-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H12Br2N2O3S/c1-5(14)4-13-17(15,16)9-7(11)2-6(10)3-8(9)12/h2-3,5,13-14H,4,12H2,1H3/t5-/m0/s1.
What are the key properties of 2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide?
2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 388.08 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 93081235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).