2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium

C13H21N2O4S+ — CID 8716763

IUPAC2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1
InChIInChI=1S/C13H20N2O4S/c1-4-19-13(16)11-5-7-12(8-6-11)20(17,18)14-9-10-15(2)3/h5-8,14H,4,9-10H2,1-3H3/p+1
InChIKeyZEYLSONJOYKLMM-UHFFFAOYSA-O
MW301.39 g/mol
LogP-0.71
Rot. Bonds7

About 2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium

2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium (PubChem CID 8716763) has the molecular formula C13H21N2O4S+ and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium
PubChem CID8716763
Molecular FormulaC13H21N2O4S+
Molecular Weight301.39 g/mol
Exact Mass301.12
IUPAC Name2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1
InChIInChI=1S/C13H20N2O4S/c1-4-19-13(16)11-5-7-12(8-6-11)20(17,18)14-9-10-15(2)3/h5-8,14H,4,9-10H2,1-3H3/p+1
InChIKeyZEYLSONJOYKLMM-UHFFFAOYSA-O
XLogP-0.71
TPSA76.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
ethyl 4-(2-hydroxypentylsulfamoyl)benzoate
CID 115754497
ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
CID 94814688
ethyl 4-[4-(carbamoylsulfamoyl)phenyl]benzoate
CID 110453940
2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 4122196
ethyl 4-[(3-hydroxycyclobutyl)methylsulfamoyl]benzoate
CID 66005245
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate
CID 115992104
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716767

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium?
The IUPAC name of 2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium (CID 8716763) is 2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium?
The canonical SMILES for 2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium is CCOC(=O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1.
What is the InChIKey of 2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium?
The InChIKey is ZEYLSONJOYKLMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20N2O4S/c1-4-19-13(16)11-5-7-12(8-6-11)20(17,18)14-9-10-15(2)3/h5-8,14H,4,9-10H2,1-3H3/p+1.
What are the key properties of 2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium?
2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium has a molecular weight of 301.39 g/mol, XLogP of -0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxycarbonylphenyl)sulfonylamino]ethyl-dimethylazanium is sourced from PubChem (CID 8716763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).