(4-iodophenyl)sulfonylmethanol

C7H7IO3S — CID 58552975

IUPAC(4-iodophenyl)sulfonylmethanol
SMILESO=S(=O)(CO)c1ccc(I)cc1
InChIInChI=1S/C7H7IO3S/c8-6-1-3-7(4-2-6)12(10,11)5-9/h1-4,9H,5H2
InChIKeyLWBYDXQSCQXWCX-UHFFFAOYSA-N
MW298.10 g/mol
LogP1.01
Rot. Bonds2

About (4-iodophenyl)sulfonylmethanol

(4-iodophenyl)sulfonylmethanol (PubChem CID 58552975) has the molecular formula C7H7IO3S and a molecular weight of 298.10 g/mol. Its IUPAC name is (4-iodophenyl)sulfonylmethanol.

Molecular Properties

Compound Name(4-iodophenyl)sulfonylmethanol
PubChem CID58552975
Molecular FormulaC7H7IO3S
Molecular Weight298.10 g/mol
Exact Mass297.92
IUPAC Name(4-iodophenyl)sulfonylmethanol
SMILESO=S(=O)(CO)c1ccc(I)cc1
InChIInChI=1S/C7H7IO3S/c8-6-1-3-7(4-2-6)12(10,11)5-9/h1-4,9H,5H2
InChIKeyLWBYDXQSCQXWCX-UHFFFAOYSA-N
XLogP1.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)sulfonylmethanol?
The IUPAC name of (4-iodophenyl)sulfonylmethanol (CID 58552975) is (4-iodophenyl)sulfonylmethanol.
What is the SMILES notation for (4-iodophenyl)sulfonylmethanol?
The canonical SMILES for (4-iodophenyl)sulfonylmethanol is O=S(=O)(CO)c1ccc(I)cc1.
What is the InChIKey of (4-iodophenyl)sulfonylmethanol?
The InChIKey is LWBYDXQSCQXWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IO3S/c8-6-1-3-7(4-2-6)12(10,11)5-9/h1-4,9H,5H2.
What are the key properties of (4-iodophenyl)sulfonylmethanol?
(4-iodophenyl)sulfonylmethanol has a molecular weight of 298.10 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)sulfonylmethanol is sourced from PubChem (CID 58552975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).