5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan

C23H28O3S — CID 102244792

IUPAC5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan
SMILESCC(C)(C)C1=C(c2cccc(CS(=O)(=O)c3ccccc3)c2)OCC1(C)C
InChIInChI=1S/C23H28O3S/c1-22(2,3)21-20(26-16-23(21,4)5)18-11-9-10-17(14-18)15-27(24,25)19-12-7-6-8-13-19/h6-14H,15-16H2,1-5H3
InChIKeyKMURGXWPVDJLJX-UHFFFAOYSA-N
MW384.54 g/mol
LogP5.47
Rot. Bonds4

About 5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan

5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan (PubChem CID 102244792) has the molecular formula C23H28O3S and a molecular weight of 384.54 g/mol. Its IUPAC name is 5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan.

Molecular Properties

Compound Name5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan
PubChem CID102244792
Molecular FormulaC23H28O3S
Molecular Weight384.54 g/mol
Exact Mass384.18
IUPAC Name5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan
SMILESCC(C)(C)C1=C(c2cccc(CS(=O)(=O)c3ccccc3)c2)OCC1(C)C
InChIInChI=1S/C23H28O3S/c1-22(2,3)21-20(26-16-23(21,4)5)18-11-9-10-17(14-18)15-27(24,25)19-12-7-6-8-13-19/h6-14H,15-16H2,1-5H3
InChIKeyKMURGXWPVDJLJX-UHFFFAOYSA-N
XLogP5.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)quinolin-2-one
CID 102018328
1-(benzenesulfonylmethyl)-3-methoxybenzene;ethane
CID 176977930
4-(benzenesulfonylmethyl)-2-ethylfuran
CID 54753211
1-ethyl-3-[[4-(4-methylphenyl)phenyl]sulfonylmethyl]benzene
CID 157421364
2-[[3-(benzenesulfonylmethyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 119200849
1-methyl-3-[4-[(3-methylsulfonylphenyl)methylsulfonyl]phenyl]benzene
CID 58378906
4-[(3-methylphenyl)methylsulfonyl]benzoic acid
CID 24710637
N-[2-(benzenesulfonamido)phenyl]benzenesulfonamide;N-[4-(benzenesulfonamido)phenyl]benzenesulfonamide;1,3-bis(benzenesulfonylmethyl)benzene
CID 162165374
5-(4-tert-butyl-3,3-dimethyl-2H-furan-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)phenol
CID 136914013
4-(benzenesulfonylmethyl)-1,2-dichlorobenzene
CID 10968615
1-benzylsulfonyl-3-iodobenzene
CID 145226686
3-[(4-methylphenyl)sulfonylmethyl]aniline
CID 43382291

Frequently Asked Questions

What is the IUPAC name of 5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan?
The IUPAC name of 5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan (CID 102244792) is 5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan.
What is the SMILES notation for 5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan?
The canonical SMILES for 5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan is CC(C)(C)C1=C(c2cccc(CS(=O)(=O)c3ccccc3)c2)OCC1(C)C.
What is the InChIKey of 5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan?
The InChIKey is KMURGXWPVDJLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O3S/c1-22(2,3)21-20(26-16-23(21,4)5)18-11-9-10-17(14-18)15-27(24,25)19-12-7-6-8-13-19/h6-14H,15-16H2,1-5H3.
What are the key properties of 5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan?
5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan has a molecular weight of 384.54 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(benzenesulfonylmethyl)phenyl]-4-tert-butyl-3,3-dimethyl-2H-furan is sourced from PubChem (CID 102244792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).