5-cyclohexyl-2-iodosylbenzenesulfonic acid

C12H15IO4S — CID 23357944

IUPAC5-cyclohexyl-2-iodosylbenzenesulfonic acid
SMILESO=Ic1ccc(C2CCCCC2)cc1S(=O)(=O)O
InChIInChI=1S/C12H15IO4S/c14-13-11-7-6-10(8-12(11)18(15,16)17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16,17)
InChIKeyZCEIGCSTXAMBQC-UHFFFAOYSA-N
MW382.22 g/mol
LogP3.47
Rot. Bonds3

About 5-cyclohexyl-2-iodosylbenzenesulfonic acid

5-cyclohexyl-2-iodosylbenzenesulfonic acid (PubChem CID 23357944) has the molecular formula C12H15IO4S and a molecular weight of 382.22 g/mol. Its IUPAC name is 5-cyclohexyl-2-iodosylbenzenesulfonic acid.

Molecular Properties

Compound Name5-cyclohexyl-2-iodosylbenzenesulfonic acid
PubChem CID23357944
Molecular FormulaC12H15IO4S
Molecular Weight382.22 g/mol
Exact Mass381.97
IUPAC Name5-cyclohexyl-2-iodosylbenzenesulfonic acid
SMILESO=Ic1ccc(C2CCCCC2)cc1S(=O)(=O)O
InChIInChI=1S/C12H15IO4S/c14-13-11-7-6-10(8-12(11)18(15,16)17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16,17)
InChIKeyZCEIGCSTXAMBQC-UHFFFAOYSA-N
XLogP3.47
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-acetyl-5-cyclohexyl-2-iodosylbenzamide
CID 23357766
2-cyclohexylbenzenesulfonic acid
CID 14574322
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
bis(4-cyclohexylphenyl)phosphane;trifluoromethanesulfonic acid
CID 171927734
2,6-dicyclopentylnaphthalene
CID 91354429
1-(2-chloro-4-cyclohexylphenyl)ethanone
CID 56998261
2,5-di(cyclononyl)phenol
CID 57426125
4-(4-cyclododecylphenyl)sulfonyloxy-2,6-dicyclopentylbenzenesulfonic acid
CID 170530221
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
4-cyclohexylbenzene-1,2-dithiol
CID 22497894
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
4-cyclodecyl-2-methylphenol
CID 153407623

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-iodosylbenzenesulfonic acid?
The IUPAC name of 5-cyclohexyl-2-iodosylbenzenesulfonic acid (CID 23357944) is 5-cyclohexyl-2-iodosylbenzenesulfonic acid.
What is the SMILES notation for 5-cyclohexyl-2-iodosylbenzenesulfonic acid?
The canonical SMILES for 5-cyclohexyl-2-iodosylbenzenesulfonic acid is O=Ic1ccc(C2CCCCC2)cc1S(=O)(=O)O.
What is the InChIKey of 5-cyclohexyl-2-iodosylbenzenesulfonic acid?
The InChIKey is ZCEIGCSTXAMBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO4S/c14-13-11-7-6-10(8-12(11)18(15,16)17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16,17).
What are the key properties of 5-cyclohexyl-2-iodosylbenzenesulfonic acid?
5-cyclohexyl-2-iodosylbenzenesulfonic acid has a molecular weight of 382.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-iodosylbenzenesulfonic acid is sourced from PubChem (CID 23357944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).