[[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid

C10H14NO7PS — CID 155522600

IUPAC[[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid
SMILESCN(O)C(=O)CS(=O)(=O)C(c1ccccc1)P(=O)(O)O
InChIInChI=1S/C10H14NO7PS/c1-11(13)9(12)7-20(17,18)10(19(14,15)16)8-5-3-2-4-6-8/h2-6,10,13H,7H2,1H3,(H2,14,15,16)
InChIKeyRLGGVWUVXOODIC-UHFFFAOYSA-N
MW323.26 g/mol
LogP0.13
Rot. Bonds5

About [[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid

[[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid (PubChem CID 155522600) has the molecular formula C10H14NO7PS and a molecular weight of 323.26 g/mol. Its IUPAC name is [[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid.

Molecular Properties

Compound Name[[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid
PubChem CID155522600
Molecular FormulaC10H14NO7PS
Molecular Weight323.26 g/mol
Exact Mass323.02
IUPAC Name[[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid
SMILESCN(O)C(=O)CS(=O)(=O)C(c1ccccc1)P(=O)(O)O
InChIInChI=1S/C10H14NO7PS/c1-11(13)9(12)7-20(17,18)10(19(14,15)16)8-5-3-2-4-6-8/h2-6,10,13H,7H2,1H3,(H2,14,15,16)
InChIKeyRLGGVWUVXOODIC-UHFFFAOYSA-N
XLogP0.13
TPSA132.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 50.13
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'}

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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
[[2-(Hydroxyamino)-2-oxo-ethyl]sulfanyl-phenyl-methyl]phosphonic acid
CID 72711298
[[2-(Hydroxyamino)-2-oxoethyl]sulfanyl-(4-methylphenyl)methyl]phosphonic acid
CID 155518988
[(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
[(3,5-Difluorophenyl)-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonylmethyl]phosphonic acid
CID 155528740
[[2-[Hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-(4-methylphenyl)methyl]phosphonic acid
CID 155552963
[[2-[Hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-naphthalen-1-ylmethyl]phosphonic acid
CID 155564416
[[2-(Hydroxyamino)-2-oxoethyl]sulfonyl-(4-methylphenyl)methyl]phosphonic acid
CID 155565062

Frequently Asked Questions

What is the IUPAC name of [[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid?
The IUPAC name of [[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid (CID 155522600) is [[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid.
What is the SMILES notation for [[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid?
The canonical SMILES for [[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid is CN(O)C(=O)CS(=O)(=O)C(c1ccccc1)P(=O)(O)O.
What is the InChIKey of [[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid?
The InChIKey is RLGGVWUVXOODIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO7PS/c1-11(13)9(12)7-20(17,18)10(19(14,15)16)8-5-3-2-4-6-8/h2-6,10,13H,7H2,1H3,(H2,14,15,16).
What are the key properties of [[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid?
[[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid has a molecular weight of 323.26 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfonyl-phenylmethyl]phosphonic acid is sourced from PubChem (CID 155522600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).