4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid

C13H19NO4S — CID 28513979

IUPAC4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid
SMILESCCN(c1cccc(C)c1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C13H19NO4S/c1-3-14(12-7-4-6-11(2)10-12)19(17,18)9-5-8-13(15)16/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,15,16)
InChIKeyVKDGCHOSXNRRHE-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.02
Rot. Bonds7

About 4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid

4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid (PubChem CID 28513979) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid
PubChem CID28513979
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid
SMILESCCN(c1cccc(C)c1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C13H19NO4S/c1-3-14(12-7-4-6-11(2)10-12)19(17,18)9-5-8-13(15)16/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,15,16)
InChIKeyVKDGCHOSXNRRHE-UHFFFAOYSA-N
XLogP2.02
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic 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

4-[ethyl(phenyl)sulfamoyl]butanoyl chloride
CID 28704851
4-[butyl(phenyl)sulfamoyl]butanoic acid
CID 43619879
N-(3-aminophenyl)-N-ethylbutane-1-sulfonamide
CID 63229885
1-(4-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide
CID 61075877
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61102427
4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide
CID 5180970
4-(N-ethylsulfonyl-3-iodoanilino)butanoic acid
CID 50891191
1-(2-aminophenyl)-N-ethyl-N-(3-methylphenyl)methanesulfonamide
CID 62020349
3-(3-methyl-N-propylanilino)propanoic acid
CID 82317776
3-(N-butylsulfonyl-4-methylanilino)propanoic acid
CID 60827496
3-(3-methyl-N-propanoylanilino)propanoic acid
CID 28764164
3-(N-ethyl-3-methylanilino)-3-oxopropane-1-sulfonyl chloride
CID 98489365

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid (CID 28513979) is 4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid is CCN(c1cccc(C)c1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid?
The InChIKey is VKDGCHOSXNRRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-3-14(12-7-4-6-11(2)10-12)19(17,18)9-5-8-13(15)16/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,15,16).
What are the key properties of 4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid?
4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid has a molecular weight of 285.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(3-methylphenyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 28513979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).