methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate

C10H13NO5S — CID 54952049

IUPACmethyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C10H13NO5S/c1-7-3-4-8(9(12)5-7)11-17(14,15)6-10(13)16-2/h3-5,11-12H,6H2,1-2H3
InChIKeyHXZRRVXOOWSDBN-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.62
Rot. Bonds4

About methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate

methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate (PubChem CID 54952049) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate
PubChem CID54952049
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Namemethyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C10H13NO5S/c1-7-3-4-8(9(12)5-7)11-17(14,15)6-10(13)16-2/h3-5,11-12H,6H2,1-2H3
InChIKeyHXZRRVXOOWSDBN-UHFFFAOYSA-N
XLogP0.62
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate
CID 61359151
ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
CID 54952211
N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 849290
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]propanoate
CID 60675493
N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702
methyl 2-[[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]sulfamoyl]acetate
CID 61456844
3-fluoro-4-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 63190339
methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate
CID 63675600
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
5-fluoro-2-[(2-methoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 54530763
methyl 2-[(2-aminophenyl)sulfamoyl]acetate
CID 14002853
methyl 2-[[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]sulfamoyl]acetate
CID 61456845

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate (CID 54952049) is methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)Nc1ccc(C)cc1O.
What is the InChIKey of methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate?
The InChIKey is HXZRRVXOOWSDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-7-3-4-8(9(12)5-7)11-17(14,15)6-10(13)16-2/h3-5,11-12H,6H2,1-2H3.
What are the key properties of methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate?
methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate has a molecular weight of 259.28 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate is sourced from PubChem (CID 54952049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).