ethyl 4-(ethylsulfamoyl)-3-methylbenzoate

C12H17NO4S — CID 54478555

IUPACethyl 4-(ethylsulfamoyl)-3-methylbenzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC)cc1C
InChIInChI=1S/C12H17NO4S/c1-4-13-18(15,16)11-7-6-10(8-9(11)3)12(14)17-5-2/h6-8,13H,4-5H2,1-3H3
InChIKeyXNIRDKNAAJFHMD-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.47
Rot. Bonds5

About ethyl 4-(ethylsulfamoyl)-3-methylbenzoate

ethyl 4-(ethylsulfamoyl)-3-methylbenzoate (PubChem CID 54478555) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 4-(ethylsulfamoyl)-3-methylbenzoate.

Molecular Properties

Compound Nameethyl 4-(ethylsulfamoyl)-3-methylbenzoate
PubChem CID54478555
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Nameethyl 4-(ethylsulfamoyl)-3-methylbenzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC)cc1C
InChIInChI=1S/C12H17NO4S/c1-4-13-18(15,16)11-7-6-10(8-9(11)3)12(14)17-5-2/h6-8,13H,4-5H2,1-3H3
InChIKeyXNIRDKNAAJFHMD-UHFFFAOYSA-N
XLogP1.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

O-ethyl 4-(ethylsulfamoyl)-3-methylbenzenecarbothioate
CID 54518369
ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 120711506
ethyl 3-(3-aminopropylsulfamoyl)-4-methylbenzoate
CID 120706731
ethyl 2-(ethylsulfamoyl)benzoate
CID 18338374
ethyl 4-methyl-3-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716016
methyl 3-methyl-4-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716326
ethyl 3-[2-(4-aminophenyl)ethylsulfamoyl]-4-methylbenzoate;hydrochloride
CID 120715587
2-[(5-ethoxycarbonyl-2-methoxyphenyl)sulfonylamino]acetic acid
CID 120968645
ethyl 4-(ethylsulfamoyl)-1,5-dimethylpyrrole-2-carboxylate
CID 53069179
ethyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 120708944
ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 120709189
4-(2-ethoxyethylsulfamoyl)-3-methylbenzenecarbothioamide
CID 106997779

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethylsulfamoyl)-3-methylbenzoate?
The IUPAC name of ethyl 4-(ethylsulfamoyl)-3-methylbenzoate (CID 54478555) is ethyl 4-(ethylsulfamoyl)-3-methylbenzoate.
What is the SMILES notation for ethyl 4-(ethylsulfamoyl)-3-methylbenzoate?
The canonical SMILES for ethyl 4-(ethylsulfamoyl)-3-methylbenzoate is CCNS(=O)(=O)c1ccc(C(=O)OCC)cc1C.
What is the InChIKey of ethyl 4-(ethylsulfamoyl)-3-methylbenzoate?
The InChIKey is XNIRDKNAAJFHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-4-13-18(15,16)11-7-6-10(8-9(11)3)12(14)17-5-2/h6-8,13H,4-5H2,1-3H3.
What are the key properties of ethyl 4-(ethylsulfamoyl)-3-methylbenzoate?
ethyl 4-(ethylsulfamoyl)-3-methylbenzoate has a molecular weight of 271.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethylsulfamoyl)-3-methylbenzoate is sourced from PubChem (CID 54478555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).