N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide

C13H21NO3S — CID 65113169

IUPACN-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C13H21NO3S/c1-5-13(4,15)9-14-18(16,17)12-7-6-10(2)8-11(12)3/h6-8,14-15H,5,9H2,1-4H3
InChIKeyNOWRMDBEPMXBJG-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.74
Rot. Bonds5

About N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide

N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 65113169) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
PubChem CID65113169
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C13H21NO3S/c1-5-13(4,15)9-14-18(16,17)12-7-6-10(2)8-11(12)3/h6-8,14-15H,5,9H2,1-4H3
InChIKeyNOWRMDBEPMXBJG-UHFFFAOYSA-N
XLogP1.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylpropyl]-2,4-dimethylbenzenesulfonamide
CID 95368044
3-[(2,4-dimethylphenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427434
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 110291429
N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide
CID 106141546
2,4-difluoro-N-(2-hydroxy-2-methylbutyl)benzenesulfonamide
CID 65113216
4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide
CID 79588525
3-fluoro-N-(2-hydroxy-2-methylbutyl)-4-methylbenzenesulfonamide
CID 65112867
1-(2,4-dimethylanilino)-2-methylbutan-2-ol
CID 114492467
N-(2-hydroxy-2-methylbutyl)-2-methyl-5-nitrobenzenesulfonamide
CID 65112954
N-(2-hydroxy-2-methylbutyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 65112859
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
CID 103844815
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 106140315

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide (CID 65113169) is N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide is CCC(C)(O)CNS(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is NOWRMDBEPMXBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-5-13(4,15)9-14-18(16,17)12-7-6-10(2)8-11(12)3/h6-8,14-15H,5,9H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide?
N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 65113169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).