methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate

C11H15NO6S — CID 3747735

IUPACmethyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H15NO6S/c1-16-9-5-4-8(6-10(9)17-2)19(14,15)12-7-11(13)18-3/h4-6,12H,7H2,1-3H3
InChIKeyHIIOVJZQUHPGQM-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.16
Rot. Bonds6

About methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate

methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate (PubChem CID 3747735) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
PubChem CID3747735
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Namemethyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H15NO6S/c1-16-9-5-4-8(6-10(9)17-2)19(14,15)12-7-11(13)18-3/h4-6,12H,7H2,1-3H3
InChIKeyHIIOVJZQUHPGQM-UHFFFAOYSA-N
XLogP0.16
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylphenyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 110670619
N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 126128860
(2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664557
(4-cyanophenyl)methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664523
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664626
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996092
methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate
CID 43423382
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992289
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
2-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171293
5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid
CID 60812376
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide
CID 112991752

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate (CID 3747735) is methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate?
The InChIKey is HIIOVJZQUHPGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c1-16-9-5-4-8(6-10(9)17-2)19(14,15)12-7-11(13)18-3/h4-6,12H,7H2,1-3H3.
What are the key properties of methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate?
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate has a molecular weight of 289.31 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate is sourced from PubChem (CID 3747735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).