methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate

C17H20N2O4S — CID 94612911

IUPACmethyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NCCN(C)c2ccccc2)c1
InChIInChI=1S/C17H20N2O4S/c1-19(15-8-4-3-5-9-15)12-11-18-24(21,22)16-10-6-7-14(13-16)17(20)23-2/h3-10,13,18H,11-12H2,1-2H3
InChIKeyWRGODTPSUXKUFW-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.89
Rot. Bonds7

About methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate

methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate (PubChem CID 94612911) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate
PubChem CID94612911
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Namemethyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NCCN(C)c2ccccc2)c1
InChIInChI=1S/C17H20N2O4S/c1-19(15-8-4-3-5-9-15)12-11-18-24(21,22)16-10-6-7-14(13-16)17(20)23-2/h3-10,13,18H,11-12H2,1-2H3
InChIKeyWRGODTPSUXKUFW-UHFFFAOYSA-N
XLogP1.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 3-[3-(methylamino)propylsulfamoyl]benzoate
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methyl 3-(prop-2-enylsulfamoyl)benzoate
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methyl 3-[[(E)-pent-3-enyl]sulfamoyl]benzoate
CID 115628671
methyl 3-[2-(2-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 100552162
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753
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methyl 3-[(2-ethyl-2-hydroxybutyl)sulfamoyl]benzoate
CID 65113181

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate (CID 94612911) is methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)NCCN(C)c2ccccc2)c1.
What is the InChIKey of methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate?
The InChIKey is WRGODTPSUXKUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-19(15-8-4-3-5-9-15)12-11-18-24(21,22)16-10-6-7-14(13-16)17(20)23-2/h3-10,13,18H,11-12H2,1-2H3.
What are the key properties of methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate?
methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate has a molecular weight of 348.42 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(N-methylanilino)ethylsulfamoyl]benzoate is sourced from PubChem (CID 94612911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).