methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate

C12H18N2O4S — CID 62662795

IUPACmethyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
SMILESCCNCCNS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C12H18N2O4S/c1-3-13-8-9-14-19(16,17)11-7-5-4-6-10(11)12(15)18-2/h4-7,13-14H,3,8-9H2,1-2H3
InChIKeyLATHDRGZJAQAGN-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.36
Rot. Bonds7

About methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate

methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate (PubChem CID 62662795) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
PubChem CID62662795
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Namemethyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
SMILESCCNCCNS(=O)(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C12H18N2O4S/c1-3-13-8-9-14-19(16,17)11-7-5-4-6-10(11)12(15)18-2/h4-7,13-14H,3,8-9H2,1-2H3
InChIKeyLATHDRGZJAQAGN-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'}

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Related Compounds

methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate
CID 119973483
methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
CID 62665529
methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
CID 104600714
methyl 2-(2-butoxyethylsulfamoyl)benzoate
CID 103833549
methyl 2-(2-cyclopropylethylsulfamoyl)benzoate
CID 113318696
methyl 2-(3-methylsulfinylpropylsulfamoyl)benzoate
CID 103833667
methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559
methyl 2-(2-ethylbutylsulfamoyl)benzoate
CID 115753533
methyl 2-[2-(trifluoromethylsulfanyl)ethylsulfamoyl]benzoate
CID 103833480
methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate
CID 115755650
methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
CID 103836700

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate (CID 62662795) is methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate is CCNCCNS(=O)(=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate?
The InChIKey is LATHDRGZJAQAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-3-13-8-9-14-19(16,17)11-7-5-4-6-10(11)12(15)18-2/h4-7,13-14H,3,8-9H2,1-2H3.
What are the key properties of methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate?
methyl 2-[2-(ethylamino)ethylsulfamoyl]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 2-[2-(ethylamino)ethylsulfamoyl]benzoate is sourced from PubChem (CID 62662795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).