5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide

C12H18BrNO4S — CID 64557804

IUPAC5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C12H18BrNO4S/c1-4-12(2,8-15)14-19(16,17)11-7-9(13)5-6-10(11)18-3/h5-7,14-15H,4,8H2,1-3H3
InChIKeyHNLRWDZQLYSFQT-UHFFFAOYSA-N
MW352.25 g/mol
LogP1.90
Rot. Bonds6

About 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide

5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 64557804) has the molecular formula C12H18BrNO4S and a molecular weight of 352.25 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide
PubChem CID64557804
Molecular FormulaC12H18BrNO4S
Molecular Weight352.25 g/mol
Exact Mass351.01
IUPAC Name5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C12H18BrNO4S/c1-4-12(2,8-15)14-19(16,17)11-7-9(13)5-6-10(11)18-3/h5-7,14-15H,4,8H2,1-3H3
InChIKeyHNLRWDZQLYSFQT-UHFFFAOYSA-N
XLogP1.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 64556227
2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 64557229
5-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 3859301
3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 64557210
5-(aminomethyl)-2-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331881
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
N'-(5-bromo-2-methoxyphenyl)sulfonylpropanehydrazide
CID 8505522
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211
5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxybenzenesulfonamide
CID 103896638
2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 114153291
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
CID 133199778
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide (CID 64557804) is 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide is CCC(C)(CO)NS(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is HNLRWDZQLYSFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO4S/c1-4-12(2,8-15)14-19(16,17)11-7-9(13)5-6-10(11)18-3/h5-7,14-15H,4,8H2,1-3H3.
What are the key properties of 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide?
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 352.25 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 64557804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).