5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid

C12H16N2O5S — CID 60940929

IUPAC5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
SMILESCNS(=O)(=O)c1ccccc1NC(=O)CCCC(=O)O
InChIInChI=1S/C12H16N2O5S/c1-13-20(18,19)10-6-3-2-5-9(10)14-11(15)7-4-8-12(16)17/h2-3,5-6,13H,4,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyLAOQJHFSFAXFHE-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.79
Rot. Bonds7

About 5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid

5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid (PubChem CID 60940929) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
PubChem CID60940929
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
SMILESCNS(=O)(=O)c1ccccc1NC(=O)CCCC(=O)O
InChIInChI=1S/C12H16N2O5S/c1-13-20(18,19)10-6-3-2-5-9(10)14-11(15)7-4-8-12(16)17/h2-3,5-6,13H,4,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyLAOQJHFSFAXFHE-UHFFFAOYSA-N
XLogP0.79
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[2-(methylsulfamoyl)anilino]-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

4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 64896402
4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 119342097
5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid
CID 61404005
4-oxo-4-(2-sulfamoylanilino)butanoic acid
CID 61129519
2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid
CID 43696150
N-[2-(ethylsulfamoyl)phenyl]-5-hydroxypentanamide
CID 79198757
5-hydroxy-N-(2-methylsulfonylphenyl)pentanamide
CID 79199090
4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 103154438
2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 107903498
3-[2-(methylsulfamoyl)anilino]propanamide
CID 43553671
3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide
CID 43699275
2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide
CID 43567944

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid (CID 60940929) is 5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid is CNS(=O)(=O)c1ccccc1NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid?
The InChIKey is LAOQJHFSFAXFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-13-20(18,19)10-6-3-2-5-9(10)14-11(15)7-4-8-12(16)17/h2-3,5-6,13H,4,7-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid?
5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid has a molecular weight of 300.34 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 60940929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).