methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate

C13H20N2O4S — CID 119973985

IUPACmethyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate
SMILESCCNCCNS(=O)(=O)c1ccc(C(=O)OC)c(C)c1
InChIInChI=1S/C13H20N2O4S/c1-4-14-7-8-15-20(17,18)11-5-6-12(10(2)9-11)13(16)19-3/h5-6,9,14-15H,4,7-8H2,1-3H3
InChIKeyOTEZKISHJVYLJO-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.67
Rot. Bonds7

About methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate

methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate (PubChem CID 119973985) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate
PubChem CID119973985
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Namemethyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate
SMILESCCNCCNS(=O)(=O)c1ccc(C(=O)OC)c(C)c1
InChIInChI=1S/C13H20N2O4S/c1-4-14-7-8-15-20(17,18)11-5-6-12(10(2)9-11)13(16)19-3/h5-6,9,14-15H,4,7-8H2,1-3H3
InChIKeyOTEZKISHJVYLJO-UHFFFAOYSA-N
XLogP0.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.67
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-methyl-5-(propylsulfamoyl)benzoate
CID 95970856
dimethyl 2-[2-(ethylamino)ethylsulfamoyl]benzene-1,4-dicarboxylate
CID 119973483
methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 119973818
methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate
CID 120716202
methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716201
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 62664770
methyl 4-chlorosulfonyl-2-methylbenzoate
CID 54594899
5-[3-(ethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 61403539
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
methyl 4-(butylsulfamoyl)-2-methoxybenzoate
CID 167914017

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate?
The IUPAC name of methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate (CID 119973985) is methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate.
What is the SMILES notation for methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate?
The canonical SMILES for methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate is CCNCCNS(=O)(=O)c1ccc(C(=O)OC)c(C)c1.
What is the InChIKey of methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate?
The InChIKey is OTEZKISHJVYLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-14-7-8-15-20(17,18)11-5-6-12(10(2)9-11)13(16)19-3/h5-6,9,14-15H,4,7-8H2,1-3H3.
What are the key properties of methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate?
methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate has a molecular weight of 300.38 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate is sourced from PubChem (CID 119973985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).