N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide

C14H23NO4S — CID 65113407

IUPACN-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H23NO4S/c1-5-14(16,6-2)10-15-20(17,18)12-7-8-13(19-4)11(3)9-12/h7-9,15-16H,5-6,10H2,1-4H3
InChIKeyUMAJHOGTSXTDAU-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.83
Rot. Bonds7

About N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide

N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 65113407) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID65113407
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C14H23NO4S/c1-5-14(16,6-2)10-15-20(17,18)12-7-8-13(19-4)11(3)9-12/h7-9,15-16H,5-6,10H2,1-4H3
InChIKeyUMAJHOGTSXTDAU-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 65113185
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 95368051
3-amino-N-(2-ethyl-2-hydroxybutyl)-4-methylbenzenesulfonamide
CID 65103032
4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 37478612
N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115613367
N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 119973818
2-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]butanoic acid
CID 65222500
N-(2,3-dihydroxy-2-methylpropyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 66169279
N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide
CID 65112958
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65034163
N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 106169800
5-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]benzene-1,3-dicarboxylic acid
CID 23517612

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide (CID 65113407) is N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide is CCC(O)(CC)CNS(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is UMAJHOGTSXTDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-5-14(16,6-2)10-15-20(17,18)12-7-8-13(19-4)11(3)9-12/h7-9,15-16H,5-6,10H2,1-4H3.
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide?
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 65113407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).