N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide

C13H21NO4S — CID 81259105

IUPACN-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide
SMILESCCC(CCO)CNS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C13H21NO4S/c1-3-11(7-8-15)10-14-19(16,17)13-6-4-5-12(9-13)18-2/h4-6,9,11,14-15H,3,7-8,10H2,1-2H3
InChIKeyTZGDKXZOCZPBDJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.38
Rot. Bonds8

About N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide

N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide (PubChem CID 81259105) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide
PubChem CID81259105
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide
SMILESCCC(CCO)CNS(=O)(=O)c1cccc(OC)c1
InChIInChI=1S/C13H21NO4S/c1-3-11(7-8-15)10-14-19(16,17)13-6-4-5-12(9-13)18-2/h4-6,9,11,14-15H,3,7-8,10H2,1-2H3
InChIKeyTZGDKXZOCZPBDJ-UHFFFAOYSA-N
XLogP1.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 115271577
3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836329
3-methoxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 103153533
3-amino-N-(2-ethyl-4-hydroxybutyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114625939
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-3-methoxybenzenesulfonamide
CID 90536518
2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 107835264
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-3-methoxybenzenesulfonamide
CID 95367533
N-(2-cyclohexyl-2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 56764321
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
CID 103836369
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methoxybenzenesulfonamide
CID 69367593

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide (CID 81259105) is N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide is CCC(CCO)CNS(=O)(=O)c1cccc(OC)c1.
What is the InChIKey of N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide?
The InChIKey is TZGDKXZOCZPBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-3-11(7-8-15)10-14-19(16,17)13-6-4-5-12(9-13)18-2/h4-6,9,11,14-15H,3,7-8,10H2,1-2H3.
What are the key properties of N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide?
N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81259105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).