2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide

C11H17BrN2O3S — CID 66089868

IUPAC2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
SMILESCC(CCO)CNS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C11H17BrN2O3S/c1-8(4-5-15)7-14-18(16,17)11-6-9(12)2-3-10(11)13/h2-3,6,8,14-15H,4-5,7,13H2,1H3
InChIKeyVOTADBXPFKUTGU-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.33
Rot. Bonds6

About 2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide

2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide (PubChem CID 66089868) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
PubChem CID66089868
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
SMILESCC(CCO)CNS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C11H17BrN2O3S/c1-8(4-5-15)7-14-18(16,17)11-6-9(12)2-3-10(11)13/h2-3,6,8,14-15H,4-5,7,13H2,1H3
InChIKeyVOTADBXPFKUTGU-UHFFFAOYSA-N
XLogP1.33
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113439
5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide
CID 66107574
2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 106491894
4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol
CID 66089189
2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700584
2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide
CID 114295168
2-amino-5-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248581
2-amino-4-bromo-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498694
N-(4-hydroxy-2-methylbutyl)-2,5-dimethylbenzenesulfonamide
CID 66108868
N-(4-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 66109314
3-amino-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66091028
(2-amino-5-bromophenyl)sulfonylurea
CID 116646105

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide (CID 66089868) is 2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide is CC(CCO)CNS(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide?
The InChIKey is VOTADBXPFKUTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-8(4-5-15)7-14-18(16,17)11-6-9(12)2-3-10(11)13/h2-3,6,8,14-15H,4-5,7,13H2,1H3.
What are the key properties of 2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide?
2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 66089868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).