2-[(4-acetamidophenyl)sulfonylamino]butanoic acid

C12H16N2O5S — CID 540360

IUPAC2-[(4-acetamidophenyl)sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)O
InChIInChI=1S/C12H16N2O5S/c1-3-11(12(16)17)14-20(18,19)10-6-4-9(5-7-10)13-8(2)15/h4-7,11,14H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyDERCDELOZKOELA-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.79
Rot. Bonds6

About 2-[(4-acetamidophenyl)sulfonylamino]butanoic acid

2-[(4-acetamidophenyl)sulfonylamino]butanoic acid (PubChem CID 540360) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]butanoic acid
PubChem CID540360
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)O
InChIInChI=1S/C12H16N2O5S/c1-3-11(12(16)17)14-20(18,19)10-6-4-9(5-7-10)13-8(2)15/h4-7,11,14H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyDERCDELOZKOELA-UHFFFAOYSA-N
XLogP0.79
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

N4-Acetylsulfanilamide
CID 8482
Carbamic acid, [[4-(acetylamino)phenyl]sulfonyl]-, methyl ester
CID 607662
Sulfasuccinamide
CID 60582
N-[4-(hydroxysulfamoyl)phenyl]acetamide
CID 283995
N-(4-sulfamoylphenyl)propanamide
CID 847760
2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide
CID 2725651
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
N-(4-sulfamoylphenyl)hexanamide
CID 245904
Propanamide, N-[4-(aminosulfonyl)phenyl]-2-methyl-
CID 3253857
N-(4-sulfamoylphenyl)butanamide
CID 3510137
N-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]phenyl}acetamide
CID 2836734
1-{[4-(Acetylamino)phenyl]sulfonyl}piperidine-3-carboxylic acid
CID 2770164

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]butanoic acid?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]butanoic acid (CID 540360) is 2-[(4-acetamidophenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]butanoic acid is CCC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)O.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]butanoic acid?
The InChIKey is DERCDELOZKOELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-3-11(12(16)17)14-20(18,19)10-6-4-9(5-7-10)13-8(2)15/h4-7,11,14H,3H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]butanoic acid?
2-[(4-acetamidophenyl)sulfonylamino]butanoic acid has a molecular weight of 300.34 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 540360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).