3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran

C18H17FO3S — CID 90857575

IUPAC3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran
SMILESCc1oc2ccc(C(C)C)cc2c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FO3S/c1-11(2)13-4-9-17-16(10-13)18(12(3)22-17)23(20,21)15-7-5-14(19)6-8-15/h4-11H,1-3H3
InChIKeyZRMQOZLSWBOQOE-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.84
Rot. Bonds3

About 3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran

3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran (PubChem CID 90857575) has the molecular formula C18H17FO3S and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran
PubChem CID90857575
Molecular FormulaC18H17FO3S
Molecular Weight332.40 g/mol
Exact Mass332.09
IUPAC Name3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran
SMILESCc1oc2ccc(C(C)C)cc2c1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FO3S/c1-11(2)13-4-9-17-16(10-13)18(12(3)22-17)23(20,21)15-7-5-14(19)6-8-15/h4-11H,1-3H3
InChIKeyZRMQOZLSWBOQOE-UHFFFAOYSA-N
XLogP4.84
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
[4-(1-Benzofuran-5-yl)phenyl] 4-fluorobenzenesulfonate
CID 155519083
[4-(1-Benzofuran-5-yl)phenyl] propane-1-sulfonate
CID 155520260
[4-(1-Benzofuran-5-yl)phenyl] cyclohexanesulfonate
CID 155523274
2-(4-Fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran
CID 155536520
[4-(1-Benzofuran-5-yl)phenyl] 4-methylbenzenesulfonate
CID 155540983
[4-(1-Benzofuran-5-yl)phenyl] benzenesulfonate
CID 155556148
[4-(1-Benzofuran-5-yl)phenyl] ethanesulfonate
CID 155558376
3-(3-Fluoro-4-methoxy-phenyl)-2-(4-methanesulfonyl-phenyl)-benzofuran
CID 44316044
3,5-Bis(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran
CID 24747884
3-(4-Methoxyphenyl)-2,5-dimethyl-1-benzofuran
CID 748824

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran (CID 90857575) is 3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran is Cc1oc2ccc(C(C)C)cc2c1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran?
The InChIKey is ZRMQOZLSWBOQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO3S/c1-11(2)13-4-9-17-16(10-13)18(12(3)22-17)23(20,21)15-7-5-14(19)6-8-15/h4-11H,1-3H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran?
3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran has a molecular weight of 332.40 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-2-methyl-5-propan-2-yl-1-benzofuran is sourced from PubChem (CID 90857575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).