methyl 3-[(2-aminophenyl)sulfamoyl]propanoate

C10H14N2O4S — CID 54952280

IUPACmethyl 3-[(2-aminophenyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C10H14N2O4S/c1-16-10(13)6-7-17(14,15)12-9-5-3-2-4-8(9)11/h2-5,12H,6-7,11H2,1H3
InChIKeyKXSYPCLFDGIROP-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.57
Rot. Bonds5

About methyl 3-[(2-aminophenyl)sulfamoyl]propanoate

methyl 3-[(2-aminophenyl)sulfamoyl]propanoate (PubChem CID 54952280) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 3-[(2-aminophenyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-aminophenyl)sulfamoyl]propanoate
PubChem CID54952280
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namemethyl 3-[(2-aminophenyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C10H14N2O4S/c1-16-10(13)6-7-17(14,15)12-9-5-3-2-4-8(9)11/h2-5,12H,6-7,11H2,1H3
InChIKeyKXSYPCLFDGIROP-UHFFFAOYSA-N
XLogP0.57
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.57
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 2-[(2-aminophenyl)sulfamoyl]acetate
CID 14002853
methyl 3-[(2-bromophenyl)sulfamoyl]propanoate
CID 60675405
methyl 3-[3-(2-aminoanilino)-3-oxopropyl]sulfonylpropanoate
CID 43618100
methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate
CID 54952491
methyl 3-[(4-amino-2,5-dimethylphenyl)sulfamoyl]propanoate
CID 103144701
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
methyl 4-[(2-methylsulfanylphenyl)sulfamoyl]butanoate
CID 61460153
methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate
CID 63675600
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]propanoate
CID 60675493
methyl 3-[(5-bromo-2-methylphenyl)sulfamoyl]propanoate
CID 61061576
ethyl 3-[(2-amino-4,5-dimethylphenyl)sulfamoyl]propanoate
CID 62099108
dimethyl 2-(2-aminoanilino)pentanedioate
CID 10061442

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-aminophenyl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[(2-aminophenyl)sulfamoyl]propanoate (CID 54952280) is methyl 3-[(2-aminophenyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[(2-aminophenyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[(2-aminophenyl)sulfamoyl]propanoate is COC(=O)CCS(=O)(=O)Nc1ccccc1N.
What is the InChIKey of methyl 3-[(2-aminophenyl)sulfamoyl]propanoate?
The InChIKey is KXSYPCLFDGIROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-16-10(13)6-7-17(14,15)12-9-5-3-2-4-8(9)11/h2-5,12H,6-7,11H2,1H3.
What are the key properties of methyl 3-[(2-aminophenyl)sulfamoyl]propanoate?
methyl 3-[(2-aminophenyl)sulfamoyl]propanoate has a molecular weight of 258.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-aminophenyl)sulfamoyl]propanoate is sourced from PubChem (CID 54952280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).