2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene

C24H24O5S2 — CID 54191170

IUPAC2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene
SMILESO=S(=O)(c1ccccc1)c1ccc(OC2CCCCC2)c(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H24O5S2/c25-30(26,20-12-6-2-7-13-20)22-16-17-23(29-19-10-4-1-5-11-19)24(18-22)31(27,28)21-14-8-3-9-15-21/h2-3,6-9,12-19H,1,4-5,10-11H2
InChIKeyGAXAQJFPIGUZIS-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.06
Rot. Bonds6

About 2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene

2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene (PubChem CID 54191170) has the molecular formula C24H24O5S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene.

Molecular Properties

Compound Name2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene
PubChem CID54191170
Molecular FormulaC24H24O5S2
Molecular Weight456.59 g/mol
Exact Mass456.11
IUPAC Name2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene
SMILESO=S(=O)(c1ccccc1)c1ccc(OC2CCCCC2)c(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H24O5S2/c25-30(26,20-12-6-2-7-13-20)22-16-17-23(29-19-10-4-1-5-11-19)24(18-22)31(27,28)21-14-8-3-9-15-21/h2-3,6-9,12-19H,1,4-5,10-11H2
InChIKeyGAXAQJFPIGUZIS-UHFFFAOYSA-N
XLogP5.06
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene?
The IUPAC name of 2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene (CID 54191170) is 2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene.
What is the SMILES notation for 2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene?
The canonical SMILES for 2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene is O=S(=O)(c1ccccc1)c1ccc(OC2CCCCC2)c(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene?
The InChIKey is GAXAQJFPIGUZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5S2/c25-30(26,20-12-6-2-7-13-20)22-16-17-23(29-19-10-4-1-5-11-19)24(18-22)31(27,28)21-14-8-3-9-15-21/h2-3,6-9,12-19H,1,4-5,10-11H2.
What are the key properties of 2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene?
2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene has a molecular weight of 456.59 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene is sourced from PubChem (CID 54191170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).