4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide

C11H17BrN2O3S — CID 113484662

IUPAC4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(CO)C(C)NS(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-7(6-15)8(2)14-18(16,17)11-4-3-9(13)5-10(11)12/h3-5,7-8,14-15H,6,13H2,1-2H3
InChIKeyRZXLHTYHICQPHL-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.33
Rot. Bonds5

About 4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide

4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 113484662) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
PubChem CID113484662
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(CO)C(C)NS(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C11H17BrN2O3S/c1-7(6-15)8(2)14-18(16,17)11-4-3-9(13)5-10(11)12/h3-5,7-8,14-15H,6,13H2,1-2H3
InChIKeyRZXLHTYHICQPHL-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
4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 106347954
4-amino-2-bromo-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036761
2,5-dibromo-N-(4-hydroxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 113318357
4-amino-2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 113457653
5-amino-2-bromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 65206923
5-amino-2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79247723
4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 61105575
5-amino-2-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54949598
4-amino-2-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 43577739
4-amino-2-bromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43534326
4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 61125800

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide (CID 113484662) is 4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide is CC(CO)C(C)NS(=O)(=O)c1ccc(N)cc1Br.
What is the InChIKey of 4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is RZXLHTYHICQPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-7(6-15)8(2)14-18(16,17)11-4-3-9(13)5-10(11)12/h3-5,7-8,14-15H,6,13H2,1-2H3.
What are the key properties of 4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide?
4-amino-2-bromo-N-(4-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 4-amino-2-bromo-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113484662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).