1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene

C12H15IO2S — CID 12556444

IUPAC1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C2CCCC2I)cc1
InChIInChI=1S/C12H15IO2S/c1-9-5-7-10(8-6-9)16(14,15)12-4-2-3-11(12)13/h5-8,11-12H,2-4H2,1H3
InChIKeyJLJZGUUAPDCVLP-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.12
Rot. Bonds2

About 1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene

1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene (PubChem CID 12556444) has the molecular formula C12H15IO2S and a molecular weight of 350.22 g/mol. Its IUPAC name is 1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene
PubChem CID12556444
Molecular FormulaC12H15IO2S
Molecular Weight350.22 g/mol
Exact Mass349.98
IUPAC Name1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene
SMILESCc1ccc(S(=O)(=O)C2CCCC2I)cc1
InChIInChI=1S/C12H15IO2S/c1-9-5-7-10(8-6-9)16(14,15)12-4-2-3-11(12)13/h5-8,11-12H,2-4H2,1H3
InChIKeyJLJZGUUAPDCVLP-UHFFFAOYSA-N
XLogP3.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-(4-methylphenyl)sulfonylcyclopentan-1-ol
CID 13212964
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
(3aS,7aS)-4-iodo-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 162402882
2-[[2-(4-methylphenyl)sulfonylcyclohexyl]amino]propan-1-ol
CID 86790070
(1R,2S,4S)-2-(4-methylphenyl)sulfonylbicyclo[2.2.1]heptane
CID 102426584
2-methyl-3-(4-methylphenyl)sulfonylcyclopentan-1-amine
CID 64906105
7-iodo-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 72807316
cis-(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 99999892
cis-(1S,2R)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbaldehyde
CID 89149050
N-methyl-3-(4-methylphenyl)sulfonylcyclohexan-1-amine
CID 64716296
[(1R,2S)-2-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 99999683
2-(4-methylphenyl)sulfonylpiperidine
CID 117036507

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene?
The IUPAC name of 1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene (CID 12556444) is 1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene?
The canonical SMILES for 1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene is Cc1ccc(S(=O)(=O)C2CCCC2I)cc1.
What is the InChIKey of 1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene?
The InChIKey is JLJZGUUAPDCVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO2S/c1-9-5-7-10(8-6-9)16(14,15)12-4-2-3-11(12)13/h5-8,11-12H,2-4H2,1H3.
What are the key properties of 1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene?
1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene has a molecular weight of 350.22 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodocyclopentyl)sulfonyl-4-methylbenzene is sourced from PubChem (CID 12556444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).