2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide

C9H13NO4S — CID 79026619

IUPAC2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(NS(=O)(=O)CCO)c1
InChIInChI=1S/C9H13NO4S/c1-14-9-4-2-3-8(7-9)10-15(12,13)6-5-11/h2-4,7,10-11H,5-6H2,1H3
InChIKeyCKCBUWQMMZUQGP-UHFFFAOYSA-N
MW231.27 g/mol
LogP0.43
Rot. Bonds5

About 2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide

2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide (PubChem CID 79026619) has the molecular formula C9H13NO4S and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
PubChem CID79026619
Molecular FormulaC9H13NO4S
Molecular Weight231.27 g/mol
Exact Mass231.06
IUPAC Name2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(NS(=O)(=O)CCO)c1
InChIInChI=1S/C9H13NO4S/c1-14-9-4-2-3-8(7-9)10-15(12,13)6-5-11/h2-4,7,10-11H,5-6H2,1H3
InChIKeyCKCBUWQMMZUQGP-UHFFFAOYSA-N
XLogP0.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
CID 61457533
N-(3-methoxyphenyl)nonane-1-sulfonamide
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3-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026524
N-(3-methoxyphenyl)-2-piperidin-2-ylethanesulfonamide
CID 60864201
N-(3-cyanophenyl)-2-hydroxyethanesulfonamide
CID 79026439
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423119
3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide
CID 47078326
2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 39373158
2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
CID 90518388
methyl 4-[[3-(difluoromethoxy)phenyl]sulfamoyl]butanoate
CID 61460208
N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423627

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide (CID 79026619) is 2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide is COc1cccc(NS(=O)(=O)CCO)c1.
What is the InChIKey of 2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide?
The InChIKey is CKCBUWQMMZUQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S/c1-14-9-4-2-3-8(7-9)10-15(12,13)6-5-11/h2-4,7,10-11H,5-6H2,1H3.
What are the key properties of 2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide?
2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide has a molecular weight of 231.27 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 79026619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).