4-[(3-acetylphenyl)sulfamoyl]butanoic acid

C12H15NO5S — CID 28513930

IUPAC4-[(3-acetylphenyl)sulfamoyl]butanoic acid
SMILESCC(=O)c1cccc(NS(=O)(=O)CCCC(=O)O)c1
InChIInChI=1S/C12H15NO5S/c1-9(14)10-4-2-5-11(8-10)13-19(17,18)7-3-6-12(15)16/h2,4-5,8,13H,3,6-7H2,1H3,(H,15,16)
InChIKeyFIHAUKWQUXBWPV-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.50
Rot. Bonds7

About 4-[(3-acetylphenyl)sulfamoyl]butanoic acid

4-[(3-acetylphenyl)sulfamoyl]butanoic acid (PubChem CID 28513930) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[(3-acetylphenyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(3-acetylphenyl)sulfamoyl]butanoic acid
PubChem CID28513930
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name4-[(3-acetylphenyl)sulfamoyl]butanoic acid
SMILESCC(=O)c1cccc(NS(=O)(=O)CCCC(=O)O)c1
InChIInChI=1S/C12H15NO5S/c1-9(14)10-4-2-5-11(8-10)13-19(17,18)7-3-6-12(15)16/h2,4-5,8,13H,3,6-7H2,1H3,(H,15,16)
InChIKeyFIHAUKWQUXBWPV-UHFFFAOYSA-N
XLogP1.50
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-chlorobutane-1-sulfonamide
CID 116814959
N-(3-acetylphenyl)-1-chloromethanesulfonamide
CID 63666365
3-(octylsulfonylamino)benzoic acid
CID 152726076
(3-acetylphenyl)sulfamic acid
CID 12629151
4-[(3-pyrazol-1-ylphenyl)sulfamoyl]butanoic acid
CID 43699767
4-(pyridin-3-ylsulfamoyl)butanoic acid
CID 28773517
4-[[2-(3-acetylanilino)-2-oxoethyl]amino]butanoic acid
CID 43473711
N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide
CID 61456491
4-[(4-fluorophenyl)sulfamoyl]butanoic acid
CID 28513841
2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid
CID 43361772
4-[(3-bromo-4-iodophenyl)sulfamoyl]butanoic acid
CID 114261899
N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]octane-1-sulfonamide
CID 6075879

Frequently Asked Questions

What is the IUPAC name of 4-[(3-acetylphenyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(3-acetylphenyl)sulfamoyl]butanoic acid (CID 28513930) is 4-[(3-acetylphenyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(3-acetylphenyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(3-acetylphenyl)sulfamoyl]butanoic acid is CC(=O)c1cccc(NS(=O)(=O)CCCC(=O)O)c1.
What is the InChIKey of 4-[(3-acetylphenyl)sulfamoyl]butanoic acid?
The InChIKey is FIHAUKWQUXBWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-9(14)10-4-2-5-11(8-10)13-19(17,18)7-3-6-12(15)16/h2,4-5,8,13H,3,6-7H2,1H3,(H,15,16).
What are the key properties of 4-[(3-acetylphenyl)sulfamoyl]butanoic acid?
4-[(3-acetylphenyl)sulfamoyl]butanoic acid has a molecular weight of 285.32 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-acetylphenyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 28513930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).