(4-propan-2-ylphenyl)sulfonylformyl iodide

C10H11IO3S — CID 166727285

IUPAC(4-propan-2-ylphenyl)sulfonylformyl iodide
SMILESCC(C)c1ccc(S(=O)(=O)C(=O)I)cc1
InChIInChI=1S/C10H11IO3S/c1-7(2)8-3-5-9(6-4-8)15(13,14)10(11)12/h3-7H,1-2H3
InChIKeyDHDXORDHWKIKLE-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.14
Rot. Bonds2

About (4-propan-2-ylphenyl)sulfonylformyl iodide

(4-propan-2-ylphenyl)sulfonylformyl iodide (PubChem CID 166727285) has the molecular formula C10H11IO3S and a molecular weight of 338.17 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)sulfonylformyl iodide.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)sulfonylformyl iodide
PubChem CID166727285
Molecular FormulaC10H11IO3S
Molecular Weight338.17 g/mol
Exact Mass337.95
IUPAC Name(4-propan-2-ylphenyl)sulfonylformyl iodide
SMILESCC(C)c1ccc(S(=O)(=O)C(=O)I)cc1
InChIInChI=1S/C10H11IO3S/c1-7(2)8-3-5-9(6-4-8)15(13,14)10(11)12/h3-7H,1-2H3
InChIKeyDHDXORDHWKIKLE-UHFFFAOYSA-N
XLogP3.14
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43625045
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
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CID 58547643
1-methyl-4-(4-propan-2-ylphenyl)sulfonylbenzene
CID 12648459
imino-oxo-(4-propan-2-ylphenyl)-(trifluoromethyl)-λ6-sulfane
CID 167284370
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide
CID 75466428
4-propan-2-ylbenzenesulfonohydrazide
CID 17372434
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
N-[4-[1-(4-propan-2-ylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 22201175
2-nitro-2-(4-propan-2-ylphenyl)sulfonylacetic acid
CID 58962100
acetic acid;cumene
CID 172767405

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)sulfonylformyl iodide?
The IUPAC name of (4-propan-2-ylphenyl)sulfonylformyl iodide (CID 166727285) is (4-propan-2-ylphenyl)sulfonylformyl iodide.
What is the SMILES notation for (4-propan-2-ylphenyl)sulfonylformyl iodide?
The canonical SMILES for (4-propan-2-ylphenyl)sulfonylformyl iodide is CC(C)c1ccc(S(=O)(=O)C(=O)I)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)sulfonylformyl iodide?
The InChIKey is DHDXORDHWKIKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO3S/c1-7(2)8-3-5-9(6-4-8)15(13,14)10(11)12/h3-7H,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)sulfonylformyl iodide?
(4-propan-2-ylphenyl)sulfonylformyl iodide has a molecular weight of 338.17 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)sulfonylformyl iodide is sourced from PubChem (CID 166727285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).