5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran

C22H24O3S — CID 123958991

IUPAC5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran
SMILESCc1ccc(S(=O)(=O)c2c(C)oc3ccc(C4CCCCC4)cc23)cc1
InChIInChI=1S/C22H24O3S/c1-15-8-11-19(12-9-15)26(23,24)22-16(2)25-21-13-10-18(14-20(21)22)17-6-4-3-5-7-17/h8-14,17H,3-7H2,1-2H3
InChIKeyIQFNHYQXJYKTTN-UHFFFAOYSA-N
MW368.50 g/mol
LogP5.93
Rot. Bonds3

About 5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran

5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran (PubChem CID 123958991) has the molecular formula C22H24O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran.

Molecular Properties

Compound Name5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran
PubChem CID123958991
Molecular FormulaC22H24O3S
Molecular Weight368.50 g/mol
Exact Mass368.14
IUPAC Name5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran
SMILESCc1ccc(S(=O)(=O)c2c(C)oc3ccc(C4CCCCC4)cc23)cc1
InChIInChI=1S/C22H24O3S/c1-15-8-11-19(12-9-15)26(23,24)22-16(2)25-21-13-10-18(14-20(21)22)17-6-4-3-5-7-17/h8-14,17H,3-7H2,1-2H3
InChIKeyIQFNHYQXJYKTTN-UHFFFAOYSA-N
XLogP5.93
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-Benzofuran-2-yl)benzenesulfonamide
CID 127029022
2-Methyl-5-{3-[4-(methylsulfonyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole
CID 45482760
2-{3-[4-(Ethylsulfonyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole
CID 45482766
2-Methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzothiophen-5-yl}-1,3,4-oxadiazole
CID 45482691
(R)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)phenyl)benzofuran
CID 45482696
(S)-5-(5-methylfuran-2-yl)-3-(4-(methylsulfinyl)phenyl)benzofuran
CID 45482700
(R)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2-yl)benzofuran
CID 45482717
(S)-3-(4-(ethylsulfinyl)phenyl)-5-(5-methylfuran-2-yl)benzofuran
CID 45482750
5-(5-Methylfuran-2-yl)-3-(4-methylsulfinylphenyl)-1-benzofuran
CID 45482759
3-(4-Ethylsulfinylphenyl)-5-(5-methylfuran-2-yl)-1-benzofuran
CID 45482765
[4-(1-Benzofuran-5-yl)phenyl] 4-fluorobenzenesulfonate
CID 155519083
[4-(1-Benzofuran-5-yl)phenyl] propane-1-sulfonate
CID 155520260

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran?
The IUPAC name of 5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran (CID 123958991) is 5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran.
What is the SMILES notation for 5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran?
The canonical SMILES for 5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran is Cc1ccc(S(=O)(=O)c2c(C)oc3ccc(C4CCCCC4)cc23)cc1.
What is the InChIKey of 5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran?
The InChIKey is IQFNHYQXJYKTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3S/c1-15-8-11-19(12-9-15)26(23,24)22-16(2)25-21-13-10-18(14-20(21)22)17-6-4-3-5-7-17/h8-14,17H,3-7H2,1-2H3.
What are the key properties of 5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran?
5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran has a molecular weight of 368.50 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-methyl-3-(4-methylphenyl)sulfonyl-1-benzofuran is sourced from PubChem (CID 123958991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).