ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate

C11H16N2O4S — CID 54951727

IUPACethyl 3-[(4-aminophenyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)Nc1ccc(N)cc1
InChIInChI=1S/C11H16N2O4S/c1-2-17-11(14)7-8-18(15,16)13-10-5-3-9(12)4-6-10/h3-6,13H,2,7-8,12H2,1H3
InChIKeyDWCYYNQAJOBJER-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.96
Rot. Bonds6

About ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate

ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate (PubChem CID 54951727) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-aminophenyl)sulfamoyl]propanoate
PubChem CID54951727
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Nameethyl 3-[(4-aminophenyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)Nc1ccc(N)cc1
InChIInChI=1S/C11H16N2O4S/c1-2-17-11(14)7-8-18(15,16)13-10-5-3-9(12)4-6-10/h3-6,13H,2,7-8,12H2,1H3
InChIKeyDWCYYNQAJOBJER-UHFFFAOYSA-N
XLogP0.96
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(4-hydroxyphenyl)sulfamoyl]propanoate
CID 54951576
ethyl 3-[(3-amino-4-ethylphenyl)sulfamoyl]propanoate
CID 61459123
5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-methylbenzoic acid
CID 63653859
ethyl 5-(phenylsulfamoyl)pentanoate
CID 20780460
ethyl 3-[(2-amino-4,5-dimethylphenyl)sulfamoyl]propanoate
CID 62099108
ethyl 3-[(3-amino-2,6-dimethylphenyl)sulfamoyl]propanoate
CID 61459319
ethyl 3-[(3-amino-2-pyridinyl)sulfamoyl]propanoate
CID 113391864
ethyl 3-[(4-chloro-2-iodophenyl)sulfamoyl]propanoate
CID 103764005
methyl 4-[(3-methoxy-3-oxopropyl)sulfonylamino]benzoate
CID 60675409
ethyl 3-[[3-(3-hydroxyprop-1-ynyl)phenyl]sulfamoyl]propanoate
CID 61459097
5-[(3-ethoxy-3-oxopropyl)sulfonylamino]thiophene-2-carboxylic acid
CID 61459443
4-[(3-ethoxy-3-oxopropyl)sulfonylamino]-3-hydroxybenzoic acid
CID 61459053

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate (CID 54951727) is ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)Nc1ccc(N)cc1.
What is the InChIKey of ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate?
The InChIKey is DWCYYNQAJOBJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-2-17-11(14)7-8-18(15,16)13-10-5-3-9(12)4-6-10/h3-6,13H,2,7-8,12H2,1H3.
What are the key properties of ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate?
ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate has a molecular weight of 272.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate is sourced from PubChem (CID 54951727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).