methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate

C10H14N2O6S2 — CID 43423382

IUPACmethyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)OC)cc1
InChIInChI=1S/C10H14N2O6S2/c1-11-19(14,15)8-3-5-9(6-4-8)20(16,17)12-7-10(13)18-2/h3-6,11-12H,7H2,1-2H3
InChIKeyZKHNJWNBMYUOQQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP-0.95
Rot. Bonds6

About methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate

methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate (PubChem CID 43423382) has the molecular formula C10H14N2O6S2 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate
PubChem CID43423382
Molecular FormulaC10H14N2O6S2
Molecular Weight322.36 g/mol
Exact Mass322.03
IUPAC Namemethyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)OC)cc1
InChIInChI=1S/C10H14N2O6S2/c1-11-19(14,15)8-3-5-9(6-4-8)20(16,17)12-7-10(13)18-2/h3-6,11-12H,7H2,1-2H3
InChIKeyZKHNJWNBMYUOQQ-UHFFFAOYSA-N
XLogP-0.95
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
methyl 2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]acetate
CID 8841355
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
CID 43404992
methyl 2-[(4-amino-3-fluorophenyl)sulfonylamino]acetate
CID 82844762
4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
CID 43501515
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
methyl 2-[[4-[(4,8-dimethoxynaphthalen-1-yl)methyl]phenyl]sulfonylamino]acetate
CID 10550528
tert-butyl 2-[(4-aminophenyl)sulfonylamino]acetate
CID 22456387
tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 22713394
propan-2-yl 2-[(4-iodophenyl)sulfonylamino]acetate
CID 4685116
(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 110670993

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate?
The IUPAC name of methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate (CID 43423382) is methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate?
The canonical SMILES for methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate is CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)OC)cc1.
What is the InChIKey of methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate?
The InChIKey is ZKHNJWNBMYUOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S2/c1-11-19(14,15)8-3-5-9(6-4-8)20(16,17)12-7-10(13)18-2/h3-6,11-12H,7H2,1-2H3.
What are the key properties of methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate?
methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate has a molecular weight of 322.36 g/mol, XLogP of -0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate is sourced from PubChem (CID 43423382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).