methyl 2-[(2-aminophenyl)sulfamoyl]acetate

C9H12N2O4S — CID 14002853

IUPACmethyl 2-[(2-aminophenyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C9H12N2O4S/c1-15-9(12)6-16(13,14)11-8-5-3-2-4-7(8)10/h2-5,11H,6,10H2,1H3
InChIKeyJKMVYEYCDSZQCV-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.18
Rot. Bonds4

About methyl 2-[(2-aminophenyl)sulfamoyl]acetate

methyl 2-[(2-aminophenyl)sulfamoyl]acetate (PubChem CID 14002853) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl 2-[(2-aminophenyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-aminophenyl)sulfamoyl]acetate
PubChem CID14002853
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Namemethyl 2-[(2-aminophenyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C9H12N2O4S/c1-15-9(12)6-16(13,14)11-8-5-3-2-4-7(8)10/h2-5,11H,6,10H2,1H3
InChIKeyJKMVYEYCDSZQCV-UHFFFAOYSA-N
XLogP0.18
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2-aminophenyl)sulfamoyl]propanoate
CID 54952280
ethyl 2-[(3-amino-2-methylphenyl)sulfamoyl]acetate
CID 54952571
methyl 2-[(5-amino-2,4-difluorophenyl)sulfamoyl]acetate
CID 54952675
ethyl 2-[(2-hydroxyphenyl)sulfamoyl]acetate
CID 54952211
methyl 2-[(2-bromo-3-chlorophenyl)sulfamoyl]acetate
CID 103480162
methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate
CID 54952516
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
methyl 3-[3-(2-aminoanilino)-3-oxopropyl]sulfonylpropanoate
CID 43618100
methyl 2-[(2-hydroxy-4-methylphenyl)sulfamoyl]acetate
CID 54952049
ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate
CID 61457351
methyl 2-[(2-bromo-4-methylphenyl)sulfamoyl]acetate
CID 61359151
methyl 2-(benzylsulfamoyl)acetate
CID 130159397

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-aminophenyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[(2-aminophenyl)sulfamoyl]acetate (CID 14002853) is methyl 2-[(2-aminophenyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(2-aminophenyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[(2-aminophenyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)Nc1ccccc1N.
What is the InChIKey of methyl 2-[(2-aminophenyl)sulfamoyl]acetate?
The InChIKey is JKMVYEYCDSZQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-15-9(12)6-16(13,14)11-8-5-3-2-4-7(8)10/h2-5,11H,6,10H2,1H3.
What are the key properties of methyl 2-[(2-aminophenyl)sulfamoyl]acetate?
methyl 2-[(2-aminophenyl)sulfamoyl]acetate has a molecular weight of 244.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-aminophenyl)sulfamoyl]acetate is sourced from PubChem (CID 14002853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).