[(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid

C7H8ClO6PS — CID 67640023

IUPAC[(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid
SMILESO=P(O)(O)C(O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C7H8ClO6PS/c8-5-1-3-6(4-2-5)16(13,14)7(9)15(10,11)12/h1-4,7,9H,(H2,10,11,12)
InChIKeyZFNPMYYCOJNABU-UHFFFAOYSA-N
MW286.63 g/mol
LogP0.57
Rot. Bonds3

About [(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid

[(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid (PubChem CID 67640023) has the molecular formula C7H8ClO6PS and a molecular weight of 286.63 g/mol. Its IUPAC name is [(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid.

Molecular Properties

Compound Name[(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid
PubChem CID67640023
Molecular FormulaC7H8ClO6PS
Molecular Weight286.63 g/mol
Exact Mass285.95
IUPAC Name[(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid
SMILESO=P(O)(O)C(O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C7H8ClO6PS/c8-5-1-3-6(4-2-5)16(13,14)7(9)15(10,11)12/h1-4,7,9H,(H2,10,11,12)
InChIKeyZFNPMYYCOJNABU-UHFFFAOYSA-N
XLogP0.57
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.63
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-(dichloromethylsulfonyl)benzene
CID 759446
1,4-dichlorobenzene;phosphoric acid
CID 175035024
2-(4-chlorophenyl)sulfonyl-3-methylbutanoic acid
CID 15130541
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
2-amino-2-(4-chlorophenyl)sulfonylethanol
CID 117037336
cadmium;4-chlorobenzenesulfonic acid
CID 54603804
[bromo-(4-chlorophenyl)methyl]phosphonic acid
CID 19909702
[(1R)-1-[[(2S)-2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]propanoyl]amino]ethyl]phosphonic acid
CID 59898512
(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935
benzene;4-chlorobenzenesulfonic acid
CID 159988924
4-chlorobenzenesulfonic acid;hydrazine
CID 157127100
1,4-dichlorobenzene;sulfurochloridic acid
CID 19857624

Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid?
The IUPAC name of [(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid (CID 67640023) is [(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid.
What is the SMILES notation for [(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid?
The canonical SMILES for [(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid is O=P(O)(O)C(O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid?
The InChIKey is ZFNPMYYCOJNABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClO6PS/c8-5-1-3-6(4-2-5)16(13,14)7(9)15(10,11)12/h1-4,7,9H,(H2,10,11,12).
What are the key properties of [(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid?
[(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid has a molecular weight of 286.63 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid is sourced from PubChem (CID 67640023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).