4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

C10H14Br2N2O3S — CID 93081162

IUPAC4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C10H14Br2N2O3S/c1-2-7(5-15)14-18(16,17)10-8(11)3-6(13)4-9(10)12/h3-4,7,14-15H,2,5,13H2,1H3/t7-/m1/s1
InChIKeyYAIYUJSLIYBYJA-SSDOTTSWSA-N
MW402.11 g/mol
LogP1.84
Rot. Bonds5

About 4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 93081162) has the molecular formula C10H14Br2N2O3S and a molecular weight of 402.11 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID93081162
Molecular FormulaC10H14Br2N2O3S
Molecular Weight402.11 g/mol
Exact Mass399.91
IUPAC Name4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C10H14Br2N2O3S/c1-2-7(5-15)14-18(16,17)10-8(11)3-6(13)4-9(10)12/h3-4,7,14-15H,2,5,13H2,1H3/t7-/m1/s1
InChIKeyYAIYUJSLIYBYJA-SSDOTTSWSA-N
XLogP1.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.11
LogP ≤ 51.84
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

4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081169
4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463460
4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
CID 106022120
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 93081202
4-amino-2,6-dibromo-N-pentan-2-ylbenzenesulfonamide
CID 43258159
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 104981937
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 51697632
4-amino-2,6-dibromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700585
methyl 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]propanoate
CID 61496754
4-amino-2,6-dibromo-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 43576430
5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081188

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 93081162) is 4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is CC[C@H](CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is YAIYUJSLIYBYJA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14Br2N2O3S/c1-2-7(5-15)14-18(16,17)10-8(11)3-6(13)4-9(10)12/h3-4,7,14-15H,2,5,13H2,1H3/t7-/m1/s1.
What are the key properties of 4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide has a molecular weight of 402.11 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 93081162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).