2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid

C16H16N2O6S — CID 118724716

IUPAC2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid
SMILESO=C(O)CN(CC(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2O6S/c19-15(17-22)10-18(11-16(20)21)25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
InChIKeyLRDFMZBTXMOTAT-UHFFFAOYSA-N
MW364.38 g/mol
LogP0.93
Rot. Bonds7

About 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid

2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid (PubChem CID 118724716) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid
PubChem CID118724716
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid
SMILESO=C(O)CN(CC(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2O6S/c19-15(17-22)10-18(11-16(20)21)25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21)
InChIKeyLRDFMZBTXMOTAT-UHFFFAOYSA-N
XLogP0.93
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid (CID 118724716) is 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid is O=C(O)CN(CC(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid?
The InChIKey is LRDFMZBTXMOTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c19-15(17-22)10-18(11-16(20)21)25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid?
2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid has a molecular weight of 364.38 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxyamino)-2-oxoethyl]-(4-phenylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 118724716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).