methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate

C12H17NO5S — CID 62334814

IUPACmethyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(C)CC(C)O)c1
InChIInChI=1S/C12H17NO5S/c1-9(14)8-13(2)19(16,17)11-6-4-5-10(7-11)12(15)18-3/h4-7,9,14H,8H2,1-3H3
InChIKeyMXOBMSABTMXEFU-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.47
Rot. Bonds5

About methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate

methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate (PubChem CID 62334814) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate
PubChem CID62334814
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Namemethyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(C)CC(C)O)c1
InChIInChI=1S/C12H17NO5S/c1-9(14)8-13(2)19(16,17)11-6-4-5-10(7-11)12(15)18-3/h4-7,9,14H,8H2,1-3H3
InChIKeyMXOBMSABTMXEFU-UHFFFAOYSA-N
XLogP0.47
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate 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

N-(2-hydroxypropyl)-N,3-dimethylbenzenesulfonamide
CID 62335007
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
methyl 3-[2-(4-methoxyphenoxy)ethyl-methylsulfamoyl]benzoate
CID 31763548
methyl 3-[bromo(ethyl)sulfamoyl]benzoate
CID 155615787
methyl 3-(3-hydroxybutylsulfamoyl)benzoate
CID 64913335
2-[ethyl-(3-methoxycarbonylphenyl)sulfonylamino]acetic acid
CID 61012663
methyl 3-(2-methylpropylsulfonyl)benzoate
CID 118342719
(4-methoxycarbonylphenyl) 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 8961302
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
methyl 3-[1-(4-fluorophenyl)ethyl-methylsulfamoyl]benzoate
CID 51335257
methyl 3-[methyl-[(1S)-1-thiophen-2-ylethyl]sulfamoyl]benzoate
CID 31769683
methyl 3-[(2,4-dimethylphenyl)-(2-methylpropyl)sulfamoyl]benzoate
CID 86731584

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate (CID 62334814) is methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)N(C)CC(C)O)c1.
What is the InChIKey of methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate?
The InChIKey is MXOBMSABTMXEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-9(14)8-13(2)19(16,17)11-6-4-5-10(7-11)12(15)18-3/h4-7,9,14H,8H2,1-3H3.
What are the key properties of methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate?
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate has a molecular weight of 287.34 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 62334814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).