(1-diethoxyphosphorylcyclohexyl)sulfonylbenzene

C16H25O5PS — CID 10713541

IUPAC(1-diethoxyphosphorylcyclohexyl)sulfonylbenzene
SMILESCCOP(=O)(OCC)C1(S(=O)(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C16H25O5PS/c1-3-20-22(17,21-4-2)16(13-9-6-10-14-16)23(18,19)15-11-7-5-8-12-15/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3
InChIKeyYVBNQPYZXWTELX-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.39
Rot. Bonds7

About (1-diethoxyphosphorylcyclohexyl)sulfonylbenzene

(1-diethoxyphosphorylcyclohexyl)sulfonylbenzene (PubChem CID 10713541) has the molecular formula C16H25O5PS and a molecular weight of 360.41 g/mol. Its IUPAC name is (1-diethoxyphosphorylcyclohexyl)sulfonylbenzene.

Molecular Properties

Compound Name(1-diethoxyphosphorylcyclohexyl)sulfonylbenzene
PubChem CID10713541
Molecular FormulaC16H25O5PS
Molecular Weight360.41 g/mol
Exact Mass360.12
IUPAC Name(1-diethoxyphosphorylcyclohexyl)sulfonylbenzene
SMILESCCOP(=O)(OCC)C1(S(=O)(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C16H25O5PS/c1-3-20-22(17,21-4-2)16(13-9-6-10-14-16)23(18,19)15-11-7-5-8-12-15/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3
InChIKeyYVBNQPYZXWTELX-UHFFFAOYSA-N
XLogP4.39
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dioxidotetrahydrothiophen-3-yl diphenylphosphinate
CID 652222
Diethyl phenylthiomethylphosphonate
CID 99227
Diethyl fluoro(phenylsulfonyl)methylphosphonate
CID 11833843
Phosphoric acid, diethyl 1-(phenylthio)vinyl ester
CID 200572
Diethyl ((phenylsulfonyl)methyl)phosphonate
CID 10891636
Diethyl (phenylthiomethyl-13C)phosphonate
CID 87229060
[(E)-3-diethoxyphosphoryl-3,3-difluoroprop-1-enyl]sulfonylbenzene
CID 11035606
(1-Diethoxyphosphoryl-1-fluoro-3-methylbutyl)sulfonylbenzene
CID 101149171
(1-Diethoxyphosphoryl-1-fluoro-4,8-dimethylnon-7-enyl)sulfonylbenzene
CID 134905256
Diethoxyphosphoryl-methylsulfinyl-benzene
CID 10858739
Diethyl (((4-fluorophenyl)sulfonyl)methyl)phosphonate
CID 15921450
[Diethoxyphosphoryl(fluoro)methyl]sulfinylbenzene
CID 13866148

Frequently Asked Questions

What is the IUPAC name of (1-diethoxyphosphorylcyclohexyl)sulfonylbenzene?
The IUPAC name of (1-diethoxyphosphorylcyclohexyl)sulfonylbenzene (CID 10713541) is (1-diethoxyphosphorylcyclohexyl)sulfonylbenzene.
What is the SMILES notation for (1-diethoxyphosphorylcyclohexyl)sulfonylbenzene?
The canonical SMILES for (1-diethoxyphosphorylcyclohexyl)sulfonylbenzene is CCOP(=O)(OCC)C1(S(=O)(=O)c2ccccc2)CCCCC1.
What is the InChIKey of (1-diethoxyphosphorylcyclohexyl)sulfonylbenzene?
The InChIKey is YVBNQPYZXWTELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25O5PS/c1-3-20-22(17,21-4-2)16(13-9-6-10-14-16)23(18,19)15-11-7-5-8-12-15/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3.
What are the key properties of (1-diethoxyphosphorylcyclohexyl)sulfonylbenzene?
(1-diethoxyphosphorylcyclohexyl)sulfonylbenzene has a molecular weight of 360.41 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-diethoxyphosphorylcyclohexyl)sulfonylbenzene is sourced from PubChem (CID 10713541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).