dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate

C14H20N2O6S — CID 119973483

IUPACdimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate
SMILESCCNCCNS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC
InChIInChI=1S/C14H20N2O6S/c1-4-15-7-8-16-23(19,20)12-9-10(13(17)21-2)5-6-11(12)14(18)22-3/h5-6,9,15-16H,4,7-8H2,1-3H3
InChIKeyNHCUABCGAUGDMN-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.15
Rot. Bonds8

About dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate

dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate (PubChem CID 119973483) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate
PubChem CID119973483
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Namedimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate
SMILESCCNCCNS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC
InChIInChI=1S/C14H20N2O6S/c1-4-15-7-8-16-23(19,20)12-9-10(13(17)21-2)5-6-11(12)14(18)22-3/h5-6,9,15-16H,4,7-8H2,1-3H3
InChIKeyNHCUABCGAUGDMN-UHFFFAOYSA-N
XLogP0.15
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 119973985
methyl 4-fluoro-2-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120715927
methyl 3-[2-(2-methoxyethylamino)ethylsulfamoyl]-4-methylbenzoate
CID 120717524
methyl 3-methyl-4-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716326
methyl 3-chloro-4-[2-(propylamino)ethylsulfamoyl]benzoate
CID 120716497
methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
CID 119973384
dimethyl 2-[(3,4-dimethylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26952290
methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate
CID 102930876
methyl 2-(2-acetamidoethylsulfamoyl)-4-aminobenzoate
CID 102930965
ethyl 4-methyl-3-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716016
methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 119973152

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate (CID 119973483) is dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate is CCNCCNS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC.
What is the InChIKey of dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate?
The InChIKey is NHCUABCGAUGDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-4-15-7-8-16-23(19,20)12-9-10(13(17)21-2)5-6-11(12)14(18)22-3/h5-6,9,15-16H,4,7-8H2,1-3H3.
What are the key properties of dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate?
dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate has a molecular weight of 344.39 g/mol, XLogP of 0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate is sourced from PubChem (CID 119973483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).