N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide

C9H13NO4S — CID 165487001

IUPACN-ethyl-3-hydroxy-4-methoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C9H13NO4S/c1-3-10-15(12,13)7-4-5-9(14-2)8(11)6-7/h4-6,10-11H,3H2,1-2H3
InChIKeyUBBTXAVHBKKTHQ-UHFFFAOYSA-N
MW231.27 g/mol
LogP0.70
Rot. Bonds4

About N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide

N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide (PubChem CID 165487001) has the molecular formula C9H13NO4S and a molecular weight of 231.27 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-4-methoxybenzenesulfonamide
PubChem CID165487001
Molecular FormulaC9H13NO4S
Molecular Weight231.27 g/mol
Exact Mass231.06
IUPAC NameN-ethyl-3-hydroxy-4-methoxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C9H13NO4S/c1-3-10-15(12,13)7-4-5-9(14-2)8(11)6-7/h4-6,10-11H,3H2,1-2H3
InChIKeyUBBTXAVHBKKTHQ-UHFFFAOYSA-N
XLogP0.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide
CID 59191345
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
5-(ethylsulfamoyl)-N-(4-fluorophenyl)-2-methoxybenzamide
CID 19257861
2-methoxy-5-(2,3,4,5,6-pentafluorophenyl)sulfonylphenol
CID 54499987
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
5-(ethylsulfamoyl)-N-(2-fluorophenyl)-2-methoxybenzamide
CID 19257860
N-benzyl-5-(ethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 19257900
5-(ethylsulfamoyl)-2-methoxy-N-(2-phenylethyl)benzamide
CID 19257913
3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 19257849

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide?
The IUPAC name of N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide (CID 165487001) is N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide?
The canonical SMILES for N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide is CCNS(=O)(=O)c1ccc(OC)c(O)c1.
What is the InChIKey of N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide?
The InChIKey is UBBTXAVHBKKTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S/c1-3-10-15(12,13)7-4-5-9(14-2)8(11)6-7/h4-6,10-11H,3H2,1-2H3.
What are the key properties of N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide?
N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide has a molecular weight of 231.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide is sourced from PubChem (CID 165487001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).