5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide

C11H17BrN2O3S — CID 79247723

IUPAC5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(CO)NS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-7(2)10(6-15)14-18(16,17)11-5-8(13)3-4-9(11)12/h3-5,7,10,14-15H,6,13H2,1-2H3
InChIKeyNNJHJMRVPFFTDY-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.33
Rot. Bonds5

About 5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide

5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 79247723) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID79247723
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(CO)NS(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-7(2)10(6-15)14-18(16,17)11-5-8(13)3-4-9(11)12/h3-5,7,10,14-15H,6,13H2,1-2H3
InChIKeyNNJHJMRVPFFTDY-UHFFFAOYSA-N
XLogP1.33
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.33
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-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248195
5-amino-2-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248425
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzenesulfonamide
CID 79248112
4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 106347954
2-amino-5-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248581
2-amino-4-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247565
5-amino-2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181950
5-amino-4-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 104889698
methyl 2-[(5-amino-2-bromophenyl)sulfonylamino]propanoate
CID 65206495
5-amino-2-bromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 65206923
2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106491907
5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107213331

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide (CID 79247723) is 5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide is CC(C)C(CO)NS(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is NNJHJMRVPFFTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-7(2)10(6-15)14-18(16,17)11-5-8(13)3-4-9(11)12/h3-5,7,10,14-15H,6,13H2,1-2H3.
What are the key properties of 5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.33, 5 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-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 79247723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).