[(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid

C10H12F2NO7PS — CID 155528740

IUPAC[(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid
SMILESCN(O)C(=O)CS(=O)(=O)C(c1cc(F)cc(F)c1)P(=O)(O)O
InChIInChI=1S/C10H12F2NO7PS/c1-13(15)9(14)5-22(19,20)10(21(16,17)18)6-2-7(11)4-8(12)3-6/h2-4,10,15H,5H2,1H3,(H2,16,17,18)
InChIKeyUUQUCESUGTXANS-UHFFFAOYSA-N
MW359.24 g/mol
LogP0.40
Rot. Bonds5

About [(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid

[(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid (PubChem CID 155528740) has the molecular formula C10H12F2NO7PS and a molecular weight of 359.24 g/mol. Its IUPAC name is [(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid.

Molecular Properties

Compound Name[(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid
PubChem CID155528740
Molecular FormulaC10H12F2NO7PS
Molecular Weight359.24 g/mol
Exact Mass359.00
IUPAC Name[(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid
SMILESCN(O)C(=O)CS(=O)(=O)C(c1cc(F)cc(F)c1)P(=O)(O)O
InChIInChI=1S/C10H12F2NO7PS/c1-13(15)9(14)5-22(19,20)10(21(16,17)18)6-2-7(11)4-8(12)3-6/h2-4,10,15H,5H2,1H3,(H2,16,17,18)
InChIKeyUUQUCESUGTXANS-UHFFFAOYSA-N
XLogP0.40
TPSA132.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 50.40
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid with MolForge

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

Launch Full Analysis

Related Compounds

[(S)-({2-[hydroxy(Methyl)amino]-2-Oxoethyl}sulfanyl)(Phenyl)methyl]phosphonic Acid
CID 71737836
[[2-[Hydroxy(methyl)amino]-2-oxo-ethyl]sulfanyl-phenyl-methyl]phosphonic acid
CID 72711292
[(3,4-Difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxo-ethyl]sulfanyl-methyl]phosphonic acid
CID 72711293
[[2-[Hydroxy(methyl)amino]-2-oxo-ethyl]sulfanyl-(p-tolyl)methyl]phosphonic acid
CID 72711296
[(3,4-Difluorophenyl)-[2-(hydroxyamino)-2-oxo-ethyl]sulfanyl-methyl]phosphonic acid
CID 72711299
[(3,5-Difluorophenyl)-[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]phosphonic acid
CID 155560634
[(3,5-Difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfanylmethyl]phosphonic acid
CID 155567782
[(R)-[2-[hydroxy(methyl)amino]-2-oxo-ethyl]sulfanyl-phenyl-methyl]phosphonic acid
CID 72711519
[[2-[Hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid
CID 155522600
[[2-[Hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-(4-methylphenyl)methyl]phosphonic acid
CID 155552963
[[2-(Hydroxyamino)-2-oxoethyl]sulfonyl-(4-methylphenyl)methyl]phosphonic acid
CID 155565062
2-[diethoxyphosphoryl-(3,4-difluorophenyl)methyl]sulfanyl-N-hydroxy-N-methylacetamide
CID 72711291

Frequently Asked Questions

What is the IUPAC name of [(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid?
The IUPAC name of [(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid (CID 155528740) is [(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid.
What is the SMILES notation for [(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid?
The canonical SMILES for [(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid is CN(O)C(=O)CS(=O)(=O)C(c1cc(F)cc(F)c1)P(=O)(O)O.
What is the InChIKey of [(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid?
The InChIKey is UUQUCESUGTXANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2NO7PS/c1-13(15)9(14)5-22(19,20)10(21(16,17)18)6-2-7(11)4-8(12)3-6/h2-4,10,15H,5H2,1H3,(H2,16,17,18).
What are the key properties of [(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid?
[(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid has a molecular weight of 359.24 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid is sourced from PubChem (CID 155528740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).