2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid

C11H15NO4S — CID 974008

IUPAC2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO4S/c1-3-12(8-11(13)14)17(15,16)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyVLAUMFPAOAEZFL-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.09
Rot. Bonds5

About 2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid

2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid (PubChem CID 974008) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid
PubChem CID974008
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid
SMILESCCN(CC(=O)O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO4S/c1-3-12(8-11(13)14)17(15,16)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyVLAUMFPAOAEZFL-UHFFFAOYSA-N
XLogP1.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-(4-methylphenyl)sulfonylamino]acetic 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

N-((4-Methylphenyl)sulfonyl)glycine
CID 70653
Tosyl-D-Proline
CID 445504
3-(4-Methylbenzenesulfonamido)propanoic acid
CID 266802
(Biphenyl-4-sulfonylamino)-acetic acid
CID 893637
Ethyl 2-(4-methylphenylsulfonamido)acetate
CID 230685
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid
CID 563461
Sarcosine, N-(p-tolylsulfonyl)-, ethyl ester
CID 95252
3-[4-(diethylsulfamoyl)phenyl]prop-2-enoic Acid
CID 2329631
3-(Toluene-4-Sulfonyl)-Thiazolidine-2-Carboxylic Acid
CID 3112776
2-(4-Methylbenzenesulfonamido)propanoic acid
CID 362747
2-[Prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetic acid
CID 4268030
[(4-Fluoro-benzenesulfonyl)-methyl-amino]-acetic acid
CID 362745

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid (CID 974008) is 2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid is CCN(CC(=O)O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid?
The InChIKey is VLAUMFPAOAEZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-12(8-11(13)14)17(15,16)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid?
2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 974008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).