2-[(3-ethylphenyl)sulfamoyl]acetic acid

C10H13NO4S — CID 28773818

IUPAC2-[(3-ethylphenyl)sulfamoyl]acetic acid
SMILESCCc1cccc(NS(=O)(=O)CC(=O)O)c1
InChIInChI=1S/C10H13NO4S/c1-2-8-4-3-5-9(6-8)11-16(14,15)7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)
InChIKeyBNJQDVNTROXIMD-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.08
Rot. Bonds5

About 2-[(3-ethylphenyl)sulfamoyl]acetic acid

2-[(3-ethylphenyl)sulfamoyl]acetic acid (PubChem CID 28773818) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-[(3-ethylphenyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(3-ethylphenyl)sulfamoyl]acetic acid
PubChem CID28773818
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-[(3-ethylphenyl)sulfamoyl]acetic acid
SMILESCCc1cccc(NS(=O)(=O)CC(=O)O)c1
InChIInChI=1S/C10H13NO4S/c1-2-8-4-3-5-9(6-8)11-16(14,15)7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)
InChIKeyBNJQDVNTROXIMD-UHFFFAOYSA-N
XLogP1.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-ethylphenyl)sulfamoyl]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

2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid
CID 43712124
2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid
CID 43361772
4-amino-N-(3-ethylphenyl)butane-1-sulfonamide
CID 54952501
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229
5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate
CID 55124931
(3-ethylphenyl)hydrazine;sulfuric acid
CID 138619674
3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090751
3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid
CID 63254571
2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid
CID 54867388
ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen
CID 145394472
2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid
CID 43712925

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylphenyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(3-ethylphenyl)sulfamoyl]acetic acid (CID 28773818) is 2-[(3-ethylphenyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(3-ethylphenyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(3-ethylphenyl)sulfamoyl]acetic acid is CCc1cccc(NS(=O)(=O)CC(=O)O)c1.
What is the InChIKey of 2-[(3-ethylphenyl)sulfamoyl]acetic acid?
The InChIKey is BNJQDVNTROXIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-2-8-4-3-5-9(6-8)11-16(14,15)7-10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13).
What are the key properties of 2-[(3-ethylphenyl)sulfamoyl]acetic acid?
2-[(3-ethylphenyl)sulfamoyl]acetic acid has a molecular weight of 243.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylphenyl)sulfamoyl]acetic acid is sourced from PubChem (CID 28773818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).