4-oxo-4-(2-sulfamoylanilino)butanoic acid

C10H12N2O5S — CID 61129519

IUPAC4-oxo-4-(2-sulfamoylanilino)butanoic acid
SMILESNS(=O)(=O)c1ccccc1NC(=O)CCC(=O)O
InChIInChI=1S/C10H12N2O5S/c11-18(16,17)8-4-2-1-3-7(8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
InChIKeyALUWFFOOULDTQC-UHFFFAOYSA-N
MW272.28 g/mol
LogP0.14
Rot. Bonds5

About 4-oxo-4-(2-sulfamoylanilino)butanoic acid

4-oxo-4-(2-sulfamoylanilino)butanoic acid (PubChem CID 61129519) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-oxo-4-(2-sulfamoylanilino)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(2-sulfamoylanilino)butanoic acid
PubChem CID61129519
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Name4-oxo-4-(2-sulfamoylanilino)butanoic acid
SMILESNS(=O)(=O)c1ccccc1NC(=O)CCC(=O)O
InChIInChI=1S/C10H12N2O5S/c11-18(16,17)8-4-2-1-3-7(8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
InChIKeyALUWFFOOULDTQC-UHFFFAOYSA-N
XLogP0.14
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385
3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid
CID 62964751
2-phenylsulfanyl-N-(2-sulfamoylphenyl)acetamide
CID 78992086
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789
3-(furan-2-yl)-N-(2-sulfamoylphenyl)propanamide
CID 61130146
2-cyclobutyl-N-(2-sulfamoylphenyl)acetamide
CID 103166193
5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60940929
N-(2-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 61130907
2-(cyclohexen-1-yl)-N-(2-sulfamoylphenyl)acetamide
CID 63563480
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
N-(2-sulfamoylphenyl)-2-thiophen-3-ylacetamide
CID 61129954
N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide
CID 10207318

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2-sulfamoylanilino)butanoic acid?
The IUPAC name of 4-oxo-4-(2-sulfamoylanilino)butanoic acid (CID 61129519) is 4-oxo-4-(2-sulfamoylanilino)butanoic acid.
What is the SMILES notation for 4-oxo-4-(2-sulfamoylanilino)butanoic acid?
The canonical SMILES for 4-oxo-4-(2-sulfamoylanilino)butanoic acid is NS(=O)(=O)c1ccccc1NC(=O)CCC(=O)O.
What is the InChIKey of 4-oxo-4-(2-sulfamoylanilino)butanoic acid?
The InChIKey is ALUWFFOOULDTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c11-18(16,17)8-4-2-1-3-7(8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17).
What are the key properties of 4-oxo-4-(2-sulfamoylanilino)butanoic acid?
4-oxo-4-(2-sulfamoylanilino)butanoic acid has a molecular weight of 272.28 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2-sulfamoylanilino)butanoic acid is sourced from PubChem (CID 61129519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).