1-(1-iodoethenylsulfonyl)-4-methylbenzene

C9H9IO2S — CID 174930714

IUPAC1-(1-iodoethenylsulfonyl)-4-methylbenzene
SMILESC=C(I)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H9IO2S/c1-7-3-5-9(6-4-7)13(11,12)8(2)10/h3-6H,2H2,1H3
InChIKeyDDOZIOUMHFTVRQ-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.67
Rot. Bonds2

About 1-(1-iodoethenylsulfonyl)-4-methylbenzene

1-(1-iodoethenylsulfonyl)-4-methylbenzene (PubChem CID 174930714) has the molecular formula C9H9IO2S and a molecular weight of 308.14 g/mol. Its IUPAC name is 1-(1-iodoethenylsulfonyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-iodoethenylsulfonyl)-4-methylbenzene
PubChem CID174930714
Molecular FormulaC9H9IO2S
Molecular Weight308.14 g/mol
Exact Mass307.94
IUPAC Name1-(1-iodoethenylsulfonyl)-4-methylbenzene
SMILESC=C(I)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H9IO2S/c1-7-3-5-9(6-4-7)13(11,12)8(2)10/h3-6H,2H2,1H3
InChIKeyDDOZIOUMHFTVRQ-UHFFFAOYSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-bromoethenylsulfonyl)-4-methylbenzene
CID 13203013
1-(4-methylphenyl)sulfonylethenamine
CID 57364782
(4-methylphenyl)sulfonylformyl chloride
CID 12530344
1-(1-deuterioprop-1-en-2-ylsulfonyl)-4-methylbenzene
CID 16686735
ethene;bis(4-methylbenzenesulfonic acid)
CID 175141625
1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
CID 138974047
bis-(4-methylphenyl)sulfonylmethylidenehydrazine
CID 154263261
4-methylbenzenesulfonic acid
CID 157221593
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-(1-iodo-3-methylbut-2-en-2-yl)sulfonyl-4-methylbenzene
CID 121007645
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodoethenylsulfonyl)-4-methylbenzene?
The IUPAC name of 1-(1-iodoethenylsulfonyl)-4-methylbenzene (CID 174930714) is 1-(1-iodoethenylsulfonyl)-4-methylbenzene.
What is the SMILES notation for 1-(1-iodoethenylsulfonyl)-4-methylbenzene?
The canonical SMILES for 1-(1-iodoethenylsulfonyl)-4-methylbenzene is C=C(I)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(1-iodoethenylsulfonyl)-4-methylbenzene?
The InChIKey is DDOZIOUMHFTVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO2S/c1-7-3-5-9(6-4-7)13(11,12)8(2)10/h3-6H,2H2,1H3.
What are the key properties of 1-(1-iodoethenylsulfonyl)-4-methylbenzene?
1-(1-iodoethenylsulfonyl)-4-methylbenzene has a molecular weight of 308.14 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodoethenylsulfonyl)-4-methylbenzene is sourced from PubChem (CID 174930714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).