4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid

C12H16N2O5S — CID 60941281

IUPAC4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid
SMILESCCNS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1
InChIInChI=1S/C12H16N2O5S/c1-2-13-20(18,19)10-5-3-9(4-6-10)14-11(15)7-8-12(16)17/h3-6,13H,2,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyINHMBAIIJHSFQK-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.79
Rot. Bonds7

About 4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid

4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid (PubChem CID 60941281) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid
PubChem CID60941281
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid
SMILESCCNS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1
InChIInChI=1S/C12H16N2O5S/c1-2-13-20(18,19)10-5-3-9(4-6-10)14-11(15)7-8-12(16)17/h3-6,13H,2,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyINHMBAIIJHSFQK-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

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Related Compounds

5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60941283
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
4-[4-[[4-(3-carboxypropanoylamino)phenyl]sulfonylamino]anilino]-4-oxobutanoic acid
CID 7364162
4-(4-ethylsulfonylanilino)-4-oxobutanoic acid
CID 54867875
3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide
CID 17310169
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide
CID 107908944
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3466870
N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide
CID 2229397
2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 17070813
4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1010683
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 60852490

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid (CID 60941281) is 4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid is CCNS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1.
What is the InChIKey of 4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid?
The InChIKey is INHMBAIIJHSFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-2-13-20(18,19)10-5-3-9(4-6-10)14-11(15)7-8-12(16)17/h3-6,13H,2,7-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid?
4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic 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 4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid is sourced from PubChem (CID 60941281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).