[benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane

C14H13IO4S2 — CID 134884808

IUPAC[benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane
SMILESCS(=O)(=O)/C(=I\c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H13IO4S2/c1-20(16,17)14(15-12-8-4-2-5-9-12)21(18,19)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyZPWXIEFCXQBMFL-UHFFFAOYSA-N
MW436.29 g/mol
LogP2.43
Rot. Bonds4

About [benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane

[benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane (PubChem CID 134884808) has the molecular formula C14H13IO4S2 and a molecular weight of 436.29 g/mol. Its IUPAC name is [benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane.

Molecular Properties

Compound Name[benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane
PubChem CID134884808
Molecular FormulaC14H13IO4S2
Molecular Weight436.29 g/mol
Exact Mass435.93
IUPAC Name[benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane
SMILESCS(=O)(=O)/C(=I\c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H13IO4S2/c1-20(16,17)14(15-12-8-4-2-5-9-12)21(18,19)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyZPWXIEFCXQBMFL-UHFFFAOYSA-N
XLogP2.43
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

but-2-en-2-ylsulfonylbenzene
CID 85377514
benzenesulfonylbenzene;ethane;methanol
CID 123145310
buta-2,3-dien-2-ylsulfonylbenzene
CID 11830311
carbonofluoridic acid;methylsulfonylbenzene
CID 174721962
(1E,4E)-2-(benzenesulfonyl)-4-methyl-1-phenylhexa-1,4-dien-3-one
CID 101351311
dihydroxy-methyl-phenyl-λ4-sulfane
CID 58227647
benzenesulfonic acid
CID 87196622
dichloro-methyl-phenyl-λ4-sulfane
CID 137473162
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
acetic acid;benzenesulfonic acid;methanesulfonic acid
CID 23154555
benzenesulfonamide;methanol
CID 23223292
1-cyclopentylideneethylsulfonylbenzene
CID 12022055

Frequently Asked Questions

What is the IUPAC name of [benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane?
The IUPAC name of [benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane (CID 134884808) is [benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane.
What is the SMILES notation for [benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane?
The canonical SMILES for [benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane is CS(=O)(=O)/C(=I\c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane?
The InChIKey is ZPWXIEFCXQBMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO4S2/c1-20(16,17)14(15-12-8-4-2-5-9-12)21(18,19)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of [benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane?
[benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane has a molecular weight of 436.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzenesulfonyl(methylsulfonyl)methylidene]-phenyl-λ3-iodane is sourced from PubChem (CID 134884808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).