3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide

C12H18BrNO3S — CID 106169573

IUPAC3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO3S/c1-3-12(2,7-8-15)14-18(16,17)11-6-4-5-10(13)9-11/h4-6,9,14-15H,3,7-8H2,1-2H3
InChIKeySSMQOHRDQTVHEO-UHFFFAOYSA-N
MW336.25 g/mol
LogP2.28
Rot. Bonds6

About 3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide

3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106169573) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106169573
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO3S/c1-3-12(2,7-8-15)14-18(16,17)11-6-4-5-10(13)9-11/h4-6,9,14-15H,3,7-8H2,1-2H3
InChIKeySSMQOHRDQTVHEO-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide
CID 114293798
N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 106173679
2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 114153291
3,4-dichloro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169954
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-3-sulfonamide
CID 106170160
3-chloro-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169609
N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 106169800
2-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61263769
N-(1-hydroxy-3-methylpentan-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 106169794
4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106169656
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106170126
N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide
CID 106170023

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide (CID 106169573) is 3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CCO)NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is SSMQOHRDQTVHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-3-12(2,7-8-15)14-18(16,17)11-6-4-5-10(13)9-11/h4-6,9,14-15H,3,7-8H2,1-2H3.
What are the key properties of 3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 336.25 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106169573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).