methyl 3-[3-(methylamino)propylsulfamoyl]benzoate

C12H18N2O4S — CID 43605987

IUPACmethyl 3-[3-(methylamino)propylsulfamoyl]benzoate
SMILESCNCCCNS(=O)(=O)c1cccc(C(=O)OC)c1
InChIInChI=1S/C12H18N2O4S/c1-13-7-4-8-14-19(16,17)11-6-3-5-10(9-11)12(15)18-2/h3,5-6,9,13-14H,4,7-8H2,1-2H3
InChIKeyWPNZWEJKTXYWLC-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.36
Rot. Bonds7

About methyl 3-[3-(methylamino)propylsulfamoyl]benzoate

methyl 3-[3-(methylamino)propylsulfamoyl]benzoate (PubChem CID 43605987) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl 3-[3-(methylamino)propylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[3-(methylamino)propylsulfamoyl]benzoate
PubChem CID43605987
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl 3-[3-(methylamino)propylsulfamoyl]benzoate
SMILESCNCCCNS(=O)(=O)c1cccc(C(=O)OC)c1
InChIInChI=1S/C12H18N2O4S/c1-13-7-4-8-14-19(16,17)11-6-3-5-10(9-11)12(15)18-2/h3,5-6,9,13-14H,4,7-8H2,1-2H3
InChIKeyWPNZWEJKTXYWLC-UHFFFAOYSA-N
XLogP0.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-[3-(methylamino)propylsulfamoyl]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

dimethyl 5-[3-(methylamino)propylsulfamoyl]benzene-1,3-dicarboxylate
CID 119964891
3-[(3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 43093020
methyl 3-(3-hydroxybutylsulfamoyl)benzoate
CID 64913335
methyl 3-[3-(3-methylphenoxy)propylsulfamoyl]benzoate
CID 31769281
methyl 3-[[(E)-pent-3-enyl]sulfamoyl]benzoate
CID 115628671
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)benzoate
CID 119994766
methyl 3-(methoxymethylsulfonyl)benzoate
CID 170742316
methyl 3-(2-phenoxyethylsulfamoyl)benzoate
CID 35609145
(2S)-2-hydroxy-4-[(3-methoxycarbonylphenyl)sulfonylamino]butanoic acid
CID 104933997
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119964995
methyl 3-(2-methylprop-2-enylsulfamoyl)benzoate
CID 114616574

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(methylamino)propylsulfamoyl]benzoate?
The IUPAC name of methyl 3-[3-(methylamino)propylsulfamoyl]benzoate (CID 43605987) is methyl 3-[3-(methylamino)propylsulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[3-(methylamino)propylsulfamoyl]benzoate?
The canonical SMILES for methyl 3-[3-(methylamino)propylsulfamoyl]benzoate is CNCCCNS(=O)(=O)c1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[3-(methylamino)propylsulfamoyl]benzoate?
The InChIKey is WPNZWEJKTXYWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-13-7-4-8-14-19(16,17)11-6-3-5-10(9-11)12(15)18-2/h3,5-6,9,13-14H,4,7-8H2,1-2H3.
What are the key properties of methyl 3-[3-(methylamino)propylsulfamoyl]benzoate?
methyl 3-[3-(methylamino)propylsulfamoyl]benzoate has a molecular weight of 286.35 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(methylamino)propylsulfamoyl]benzoate is sourced from PubChem (CID 43605987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).