5-(4-methylsulfonylanilino)-5-oxopentanoic acid

C12H15NO5S — CID 43397158

IUPAC5-(4-methylsulfonylanilino)-5-oxopentanoic acid
SMILESCS(=O)(=O)c1ccc(NC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C12H15NO5S/c1-19(17,18)10-7-5-9(6-8-10)13-11(14)3-2-4-12(15)16/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyCTYZKOAKUGCIHA-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.28
Rot. Bonds6

About 5-(4-methylsulfonylanilino)-5-oxopentanoic acid

5-(4-methylsulfonylanilino)-5-oxopentanoic acid (PubChem CID 43397158) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-(4-methylsulfonylanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-methylsulfonylanilino)-5-oxopentanoic acid
PubChem CID43397158
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name5-(4-methylsulfonylanilino)-5-oxopentanoic acid
SMILESCS(=O)(=O)c1ccc(NC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C12H15NO5S/c1-19(17,18)10-7-5-9(6-8-10)13-11(14)3-2-4-12(15)16/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyCTYZKOAKUGCIHA-UHFFFAOYSA-N
XLogP1.28
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-methylsulfonylanilino)-5-oxopentanoic 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

5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60941283
5-(2-fluoro-5-methylsulfonylanilino)-5-oxopentanoic acid
CID 60708181
5-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-5-oxopentanoic acid
CID 2813400
4-(4-ethylsulfonylanilino)-4-oxobutanoic acid
CID 54867875
5-oxo-5-[4-(2,3,4,5,6-pentamethylbenzoyl)anilino]pentanoic acid
CID 134119488
5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid
CID 756962
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]benzamide
CID 26213288
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960
5-[3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60940402
6-amino-4,4-dimethyl-N-(4-methylsulfonylphenyl)hexanamide
CID 65293355
8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylanilino)-5-oxopentanoic acid?
The IUPAC name of 5-(4-methylsulfonylanilino)-5-oxopentanoic acid (CID 43397158) is 5-(4-methylsulfonylanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-methylsulfonylanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-methylsulfonylanilino)-5-oxopentanoic acid is CS(=O)(=O)c1ccc(NC(=O)CCCC(=O)O)cc1.
What is the InChIKey of 5-(4-methylsulfonylanilino)-5-oxopentanoic acid?
The InChIKey is CTYZKOAKUGCIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-19(17,18)10-7-5-9(6-8-10)13-11(14)3-2-4-12(15)16/h5-8H,2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-(4-methylsulfonylanilino)-5-oxopentanoic acid?
5-(4-methylsulfonylanilino)-5-oxopentanoic acid has a molecular weight of 285.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylanilino)-5-oxopentanoic acid is sourced from PubChem (CID 43397158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).