methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate

C13H18N2O5S — CID 51169901

IUPACmethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(C)CC(=O)N(C)C
InChIInChI=1S/C13H18N2O5S/c1-14(2)12(16)9-15(3)21(18,19)11-8-6-5-7-10(11)13(17)20-4/h5-8H,9H2,1-4H3
InChIKeyCHOZSNVQZKNAHJ-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.18
Rot. Bonds5

About methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate

methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate (PubChem CID 51169901) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
PubChem CID51169901
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Namemethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(C)CC(=O)N(C)C
InChIInChI=1S/C13H18N2O5S/c1-14(2)12(16)9-15(3)21(18,19)11-8-6-5-7-10(11)13(17)20-4/h5-8H,9H2,1-4H3
InChIKeyCHOZSNVQZKNAHJ-UHFFFAOYSA-N
XLogP0.18
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 51107275
methyl 2-[3-methoxypropyl(methyl)sulfamoyl]benzoate
CID 103628065
(2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid
CID 67904319
N,N-dimethyl-2-[methyl(naphthalen-1-ylsulfonyl)amino]acetamide
CID 115684021
methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
CID 102920398
methyl 3-chloro-4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate
CID 51107276
2-[(2-amino-3-pyridinyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 65427602
methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate
CID 103833460
methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate
CID 106934687
3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]-2-methylbenzoic acid
CID 63742310
methyl 2-[2-methoxyethyl(propan-2-yl)sulfamoyl]benzoate
CID 102920579
methyl 2-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378680

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate?
The IUPAC name of methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate (CID 51169901) is methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate?
The canonical SMILES for methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)N(C)CC(=O)N(C)C.
What is the InChIKey of methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate?
The InChIKey is CHOZSNVQZKNAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-14(2)12(16)9-15(3)21(18,19)11-8-6-5-7-10(11)13(17)20-4/h5-8H,9H2,1-4H3.
What are the key properties of methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate?
methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate has a molecular weight of 314.36 g/mol, XLogP of 0.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoate is sourced from PubChem (CID 51169901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).