2-[(4-acetamidophenyl)sulfamoyl]acetic acid

C10H12N2O5S — CID 28774285

IUPAC2-[(4-acetamidophenyl)sulfamoyl]acetic acid
SMILESCC(=O)Nc1ccc(NS(=O)(=O)CC(=O)O)cc1
InChIInChI=1S/C10H12N2O5S/c1-7(13)11-8-2-4-9(5-3-8)12-18(16,17)6-10(14)15/h2-5,12H,6H2,1H3,(H,11,13)(H,14,15)
InChIKeyWNHGDIYNTSAIPO-UHFFFAOYSA-N
MW272.28 g/mol
LogP0.47
Rot. Bonds5

About 2-[(4-acetamidophenyl)sulfamoyl]acetic acid

2-[(4-acetamidophenyl)sulfamoyl]acetic acid (PubChem CID 28774285) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfamoyl]acetic acid
PubChem CID28774285
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Name2-[(4-acetamidophenyl)sulfamoyl]acetic acid
SMILESCC(=O)Nc1ccc(NS(=O)(=O)CC(=O)O)cc1
InChIInChI=1S/C10H12N2O5S/c1-7(13)11-8-2-4-9(5-3-8)12-18(16,17)6-10(14)15/h2-5,12H,6H2,1H3,(H,11,13)(H,14,15)
InChIKeyWNHGDIYNTSAIPO-UHFFFAOYSA-N
XLogP0.47
TPSA112.57 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 ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylsulfonylamino)phenyl]acetamide
CID 743927
2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid
CID 43361897
3-(4-acetamidoanilino)-3-oxopropanoic acid
CID 55049633
N-[4-[2-(phenylsulfamoyl)ethylsulfamoyl]phenyl]acetamide
CID 110408312
2-[[4-(triazol-2-yl)phenyl]sulfamoyl]acetic acid
CID 43700013
3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid
CID 17341594
2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid
CID 60932761
2-[2-[4-(ethylsulfonylamino)anilino]-2-oxoethoxy]acetic acid
CID 61329012
N-[4-(2-aminoethylsulfamoylamino)phenyl]acetamide
CID 84761036
2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid
CID 107571632
N-(4-iodophenyl)acetamide
CID 12147
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(4-acetamidophenyl)sulfamoyl]acetic acid (CID 28774285) is 2-[(4-acetamidophenyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfamoyl]acetic acid is CC(=O)Nc1ccc(NS(=O)(=O)CC(=O)O)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfamoyl]acetic acid?
The InChIKey is WNHGDIYNTSAIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c1-7(13)11-8-2-4-9(5-3-8)12-18(16,17)6-10(14)15/h2-5,12H,6H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[(4-acetamidophenyl)sulfamoyl]acetic acid?
2-[(4-acetamidophenyl)sulfamoyl]acetic acid has a molecular weight of 272.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfamoyl]acetic acid is sourced from PubChem (CID 28774285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).