methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate

C11H15NO5S — CID 54951513

IUPACmethyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C11H15NO5S/c1-12(9-3-5-10(13)6-4-9)18(15,16)8-7-11(14)17-2/h3-6,13H,7-8H2,1-2H3
InChIKeyFTTGSNYQWJIOAP-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.72
Rot. Bonds5

About methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate

methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate (PubChem CID 54951513) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate
PubChem CID54951513
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Namemethyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C11H15NO5S/c1-12(9-3-5-10(13)6-4-9)18(15,16)8-7-11(14)17-2/h3-6,13H,7-8H2,1-2H3
InChIKeyFTTGSNYQWJIOAP-UHFFFAOYSA-N
XLogP0.72
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[(4-hydroxyphenyl)-methylsulfamoyl]-methylamino]propanoate
CID 107734048
N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide
CID 55175048
methyl 3-[ethyl-(5-hydroxy-2-methylphenyl)sulfamoyl]propanoate
CID 61458556
methyl 4-(4-hydroxyphenyl)sulfonylbutanoate
CID 170957892
methyl 4-[(3-cyanophenyl)-methylsulfamoyl]butanoate
CID 62980861
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]propanoate
CID 62334087
methyl 2-(N-formyl-4-hydroxyanilino)acetate
CID 22630303
methyl 3-[(3-aminophenyl)methyl-methylsulfamoyl]propanoate
CID 61458585
methyl 3-[4-[bis(3-methoxy-3-oxopropyl)amino]-N-(3-methoxy-3-oxopropyl)anilino]propanoate
CID 101485319
4-[diethylsulfamoyl(methyl)amino]phenol
CID 28785528
3-[(3-methoxy-3-oxopropyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55008563
methyl 3-ethylsulfonylpropanoate
CID 19377555

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate?
The IUPAC name of methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate (CID 54951513) is methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate?
The canonical SMILES for methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate is COC(=O)CCS(=O)(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate?
The InChIKey is FTTGSNYQWJIOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-12(9-3-5-10(13)6-4-9)18(15,16)8-7-11(14)17-2/h3-6,13H,7-8H2,1-2H3.
What are the key properties of methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate?
methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate has a molecular weight of 273.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-hydroxyphenyl)-methylsulfamoyl]propanoate is sourced from PubChem (CID 54951513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).