(4-methylphenyl)sulfonylmethanesulfonyl iodide

C8H9IO4S2 — CID 91415915

IUPAC(4-methylphenyl)sulfonylmethanesulfonyl iodide
SMILESCc1ccc(S(=O)(=O)CS(=O)(=O)I)cc1
InChIInChI=1S/C8H9IO4S2/c1-7-2-4-8(5-3-7)14(10,11)6-15(9,12)13/h2-5H,6H2,1H3
InChIKeyJVDSFFATSMGHJP-UHFFFAOYSA-N
MW360.19 g/mol
LogP1.49
Rot. Bonds3

About (4-methylphenyl)sulfonylmethanesulfonyl iodide

(4-methylphenyl)sulfonylmethanesulfonyl iodide (PubChem CID 91415915) has the molecular formula C8H9IO4S2 and a molecular weight of 360.19 g/mol. Its IUPAC name is (4-methylphenyl)sulfonylmethanesulfonyl iodide.

Molecular Properties

Compound Name(4-methylphenyl)sulfonylmethanesulfonyl iodide
PubChem CID91415915
Molecular FormulaC8H9IO4S2
Molecular Weight360.19 g/mol
Exact Mass359.90
IUPAC Name(4-methylphenyl)sulfonylmethanesulfonyl iodide
SMILESCc1ccc(S(=O)(=O)CS(=O)(=O)I)cc1
InChIInChI=1S/C8H9IO4S2/c1-7-2-4-8(5-3-7)14(10,11)6-15(9,12)13/h2-5H,6H2,1H3
InChIKeyJVDSFFATSMGHJP-UHFFFAOYSA-N
XLogP1.49
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 51.49
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

1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
(4-methylphenyl)sulfonyloxidanium
CID 5175018
1-(2,2-diiodoethylsulfonyl)-4-methylbenzene
CID 10993804
ethane;(4-methylphenyl)sulfonylmethylazanium
CID 145005108
N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine
CID 71371695
2-(4-methylphenyl)sulfonylethanesulfonic acid
CID 21412922
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)sulfonylmethanesulfonyl iodide?
The IUPAC name of (4-methylphenyl)sulfonylmethanesulfonyl iodide (CID 91415915) is (4-methylphenyl)sulfonylmethanesulfonyl iodide.
What is the SMILES notation for (4-methylphenyl)sulfonylmethanesulfonyl iodide?
The canonical SMILES for (4-methylphenyl)sulfonylmethanesulfonyl iodide is Cc1ccc(S(=O)(=O)CS(=O)(=O)I)cc1.
What is the InChIKey of (4-methylphenyl)sulfonylmethanesulfonyl iodide?
The InChIKey is JVDSFFATSMGHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO4S2/c1-7-2-4-8(5-3-7)14(10,11)6-15(9,12)13/h2-5H,6H2,1H3.
What are the key properties of (4-methylphenyl)sulfonylmethanesulfonyl iodide?
(4-methylphenyl)sulfonylmethanesulfonyl iodide has a molecular weight of 360.19 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)sulfonylmethanesulfonyl iodide is sourced from PubChem (CID 91415915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).