N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide

C14H23NO4S — CID 103835050

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide
SMILESCOCCC(C)(O)CNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H23NO4S/c1-11-5-6-13(9-12(11)2)20(17,18)15-10-14(3,16)7-8-19-4/h5-6,9,15-16H,7-8,10H2,1-4H3
InChIKeyQGPCAZYUYRZYMH-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.37
Rot. Bonds7

About N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 103835050) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide
PubChem CID103835050
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide
SMILESCOCCC(C)(O)CNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H23NO4S/c1-11-5-6-13(9-12(11)2)20(17,18)15-10-14(3,16)7-8-19-4/h5-6,9,15-16H,7-8,10H2,1-4H3
InChIKeyQGPCAZYUYRZYMH-UHFFFAOYSA-N
XLogP1.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzenesulfonamide
CID 103834939
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbenzenesulfonamide
CID 103835067
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4,5-dimethylbenzenesulfonamide
CID 106249745
3-cyano-4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzenesulfonamide
CID 103835070
4-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-methoxybenzenesulfonamide
CID 106249681
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide
CID 103835036
N-(2-hydroxy-4-methoxy-2-methylbutyl)thiophene-2-sulfonamide
CID 103835023
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethylbenzenesulfonamide
CID 110291564
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
2-amino-4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzenesulfonamide
CID 106249724
4-cyano-N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide
CID 106833366

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide (CID 103835050) is N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide is COCCC(C)(O)CNS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is QGPCAZYUYRZYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-11-5-6-13(9-12(11)2)20(17,18)15-10-14(3,16)7-8-19-4/h5-6,9,15-16H,7-8,10H2,1-4H3.
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 103835050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).