methyl 2-(2-aminoethylsulfamoyl)benzoate

C10H14N2O4S — CID 43603433

IUPACmethyl 2-(2-aminoethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCCN
InChIInChI=1S/C10H14N2O4S/c1-16-10(13)8-4-2-3-5-9(8)17(14,15)12-7-6-11/h2-5,12H,6-7,11H2,1H3
InChIKeyWMGOCDGGIOZWCH-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.29
Rot. Bonds5

About methyl 2-(2-aminoethylsulfamoyl)benzoate

methyl 2-(2-aminoethylsulfamoyl)benzoate (PubChem CID 43603433) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 2-(2-aminoethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-aminoethylsulfamoyl)benzoate
PubChem CID43603433
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 2-(2-aminoethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCCN
InChIInChI=1S/C10H14N2O4S/c1-16-10(13)8-4-2-3-5-9(8)17(14,15)12-7-6-11/h2-5,12H,6-7,11H2,1H3
InChIKeyWMGOCDGGIOZWCH-UHFFFAOYSA-N
XLogP-0.29
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2-aminoethylsulfamoyl)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

methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
CID 104600714
methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559
methyl 2-(3-methylsulfinylpropylsulfamoyl)benzoate
CID 103833667
methyl 2-(2-cyclopropylethylsulfamoyl)benzoate
CID 113318696
methyl 3-(3-aminopropylsulfamoyl)-2-methylbenzoate
CID 119962127
methyl 3-(4-aminobutylsulfamoyl)-2-methylbenzoate
CID 120583645
methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
CID 62665529
methyl 2-[(2-aminoacetyl)sulfamoyl]benzoate
CID 68846024
methyl 2-[2-(trifluoromethylsulfanyl)ethylsulfamoyl]benzoate
CID 103833480
methyl 2-(2-butoxyethylsulfamoyl)benzoate
CID 103833549
methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate
CID 115755650

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminoethylsulfamoyl)benzoate?
The IUPAC name of methyl 2-(2-aminoethylsulfamoyl)benzoate (CID 43603433) is methyl 2-(2-aminoethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-(2-aminoethylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-(2-aminoethylsulfamoyl)benzoate is COC(=O)c1ccccc1S(=O)(=O)NCCN.
What is the InChIKey of methyl 2-(2-aminoethylsulfamoyl)benzoate?
The InChIKey is WMGOCDGGIOZWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-16-10(13)8-4-2-3-5-9(8)17(14,15)12-7-6-11/h2-5,12H,6-7,11H2,1H3.
What are the key properties of methyl 2-(2-aminoethylsulfamoyl)benzoate?
methyl 2-(2-aminoethylsulfamoyl)benzoate has a molecular weight of 258.30 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminoethylsulfamoyl)benzoate is sourced from PubChem (CID 43603433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).