2-[2-(ethylsulfamoyl)anilino]propanoic acid

C11H16N2O4S — CID 43468803

IUPAC2-[2-(ethylsulfamoyl)anilino]propanoic acid
SMILESCCNS(=O)(=O)c1ccccc1NC(C)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-3-12-18(16,17)10-7-5-4-6-9(10)13-8(2)11(14)15/h4-8,12-13H,3H2,1-2H3,(H,14,15)
InChIKeyRHIJQGWHDZMHLV-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.87
Rot. Bonds6

About 2-[2-(ethylsulfamoyl)anilino]propanoic acid

2-[2-(ethylsulfamoyl)anilino]propanoic acid (PubChem CID 43468803) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[2-(ethylsulfamoyl)anilino]propanoic acid.

Molecular Properties

Compound Name2-[2-(ethylsulfamoyl)anilino]propanoic acid
PubChem CID43468803
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-[2-(ethylsulfamoyl)anilino]propanoic acid
SMILESCCNS(=O)(=O)c1ccccc1NC(C)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-3-12-18(16,17)10-7-5-4-6-9(10)13-8(2)11(14)15/h4-8,12-13H,3H2,1-2H3,(H,14,15)
InChIKeyRHIJQGWHDZMHLV-UHFFFAOYSA-N
XLogP0.87
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-(ethylsulfamoyl)anilino]propanoic acid 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

2-(2-sulfamoylanilino)propanoic acid
CID 43468805
methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate
CID 62004727
2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid
CID 43468799
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
2-(ethylsulfamoyl)benzoic acid
CID 18725198
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-ethyl-2-(1-pyridin-2-ylethylamino)benzenesulfonamide
CID 43524451
2-(2-methyl-3-sulfamoylanilino)propanoic acid
CID 66173145
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733
2-hydroxyethyl N-[2-(ethylsulfamoyl)phenyl]carbamate
CID 79345271
N-[2-(ethylsulfamoyl)phenyl]-5-hydroxypentanamide
CID 79198757
3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide
CID 43699275

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylsulfamoyl)anilino]propanoic acid?
The IUPAC name of 2-[2-(ethylsulfamoyl)anilino]propanoic acid (CID 43468803) is 2-[2-(ethylsulfamoyl)anilino]propanoic acid.
What is the SMILES notation for 2-[2-(ethylsulfamoyl)anilino]propanoic acid?
The canonical SMILES for 2-[2-(ethylsulfamoyl)anilino]propanoic acid is CCNS(=O)(=O)c1ccccc1NC(C)C(=O)O.
What is the InChIKey of 2-[2-(ethylsulfamoyl)anilino]propanoic acid?
The InChIKey is RHIJQGWHDZMHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-3-12-18(16,17)10-7-5-4-6-9(10)13-8(2)11(14)15/h4-8,12-13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(ethylsulfamoyl)anilino]propanoic acid?
2-[2-(ethylsulfamoyl)anilino]propanoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylsulfamoyl)anilino]propanoic acid is sourced from PubChem (CID 43468803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).