5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide

C12H18BrNO4S — CID 66107574

IUPAC5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCC(C)CCO
InChIInChI=1S/C12H18BrNO4S/c1-9(5-6-15)8-14-19(16,17)12-7-10(13)3-4-11(12)18-2/h3-4,7,9,14-15H,5-6,8H2,1-2H3
InChIKeyOCGDIEVOBZJLSD-UHFFFAOYSA-N
MW352.25 g/mol
LogP1.75
Rot. Bonds7

About 5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide

5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide (PubChem CID 66107574) has the molecular formula C12H18BrNO4S and a molecular weight of 352.25 g/mol. Its IUPAC name is 5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide
PubChem CID66107574
Molecular FormulaC12H18BrNO4S
Molecular Weight352.25 g/mol
Exact Mass351.01
IUPAC Name5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCC(C)CCO
InChIInChI=1S/C12H18BrNO4S/c1-9(5-6-15)8-14-19(16,17)12-7-10(13)3-4-11(12)18-2/h3-4,7,9,14-15H,5-6,8H2,1-2H3
InChIKeyOCGDIEVOBZJLSD-UHFFFAOYSA-N
XLogP1.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 47429872
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211
3-[(4-hydroxy-2-methylbutyl)sulfamoyl]-4-methoxybenzoic acid
CID 66091999
2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66089868
5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824611
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 103836787
5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxybenzenesulfonamide
CID 103896638
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81066148
2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide
CID 114295168
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide (CID 66107574) is 5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCC(C)CCO.
What is the InChIKey of 5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide?
The InChIKey is OCGDIEVOBZJLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO4S/c1-9(5-6-15)8-14-19(16,17)12-7-10(13)3-4-11(12)18-2/h3-4,7,9,14-15H,5-6,8H2,1-2H3.
What are the key properties of 5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide?
5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide has a molecular weight of 352.25 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 66107574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).