3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran

C20H20O3S — CID 123652375

IUPAC3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran
SMILESCc1oc2ccc(C3CCCC3)cc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20O3S/c1-14-20(24(21,22)17-9-3-2-4-10-17)18-13-16(11-12-19(18)23-14)15-7-5-6-8-15/h2-4,9-13,15H,5-8H2,1H3
InChIKeyYSBYONGELURGIX-UHFFFAOYSA-N
MW340.44 g/mol
LogP5.23
Rot. Bonds3

About 3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran

3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran (PubChem CID 123652375) has the molecular formula C20H20O3S and a molecular weight of 340.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran
PubChem CID123652375
Molecular FormulaC20H20O3S
Molecular Weight340.44 g/mol
Exact Mass340.11
IUPAC Name3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran
SMILESCc1oc2ccc(C3CCCC3)cc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H20O3S/c1-14-20(24(21,22)17-9-3-2-4-10-17)18-13-16(11-12-19(18)23-14)15-7-5-6-8-15/h2-4,9-13,15H,5-8H2,1H3
InChIKeyYSBYONGELURGIX-UHFFFAOYSA-N
XLogP5.23
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.44
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran
CID 139078337
3-(benzenesulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran
CID 123511581
2-cyclohexyldibenzofuran
CID 163628573
5-cyclohexyl-3-[(R)-(3-fluorophenyl)sulfinyl]-2-methyl-1-benzofuran
CID 139085700
5-cyclohexyl-3-[(S)-methylsulfinyl]-2-phenyl-1-benzofuran
CID 139080616
3-(4-fluorophenyl)sulfonyl-5-iodo-2-methyl-1-benzofuran
CID 90874732
8-cyclohexyl-N-[4-[4-(N-(8-cyclohexyldibenzofuran-2-yl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-2-amine
CID 71126832
5-cyclohexyl-2-(4-fluorophenyl)-3-[(R)-phenylsulfinyl]-1-benzofuran
CID 139085974
1-[3-(benzenesulfonyl)benzo[f][1]benzofuran-2-yl]ethanone
CID 129245021
(3-cyclopentylphenyl) benzenesulfonate
CID 88574354
8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole
CID 169027648
6-cyclohexyl-18-methyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
CID 126657898

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran?
The IUPAC name of 3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran (CID 123652375) is 3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran.
What is the SMILES notation for 3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran?
The canonical SMILES for 3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran is Cc1oc2ccc(C3CCCC3)cc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran?
The InChIKey is YSBYONGELURGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3S/c1-14-20(24(21,22)17-9-3-2-4-10-17)18-13-16(11-12-19(18)23-14)15-7-5-6-8-15/h2-4,9-13,15H,5-8H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran?
3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran has a molecular weight of 340.44 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-cyclopentyl-2-methyl-1-benzofuran is sourced from PubChem (CID 123652375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).