2-(benzenesulfonyl)-3-methyl-2H-furan-5-one

C11H10O4S — CID 14416391

IUPAC2-(benzenesulfonyl)-3-methyl-2H-furan-5-one
SMILESCC1=CC(=O)OC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H10O4S/c1-8-7-10(12)15-11(8)16(13,14)9-5-3-2-4-6-9/h2-7,11H,1H3
InChIKeyFNLYFFIMFAYWFC-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.29
Rot. Bonds2

About 2-(benzenesulfonyl)-3-methyl-2H-furan-5-one

2-(benzenesulfonyl)-3-methyl-2H-furan-5-one (PubChem CID 14416391) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-methyl-2H-furan-5-one
PubChem CID14416391
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name2-(benzenesulfonyl)-3-methyl-2H-furan-5-one
SMILESCC1=CC(=O)OC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H10O4S/c1-8-7-10(12)15-11(8)16(13,14)9-5-3-2-4-6-9/h2-7,11H,1H3
InChIKeyFNLYFFIMFAYWFC-UHFFFAOYSA-N
XLogP1.29
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl (phenylsulphonyl)acetate
CID 82078
Methyl phenylsulfonyl acetate
CID 555619
Methyl 3-(phenylsulfonyl)propionate
CID 4193353
Sulfone, 2-acetoxypropyl phenyl
CID 538760
2-Propenoic acid, 2-(phenylthio)ethyl ester
CID 22676929
2-(Benzenesulfonyl)ethyl prop-2-enoate
CID 44377390
Methyl 3-[(4-methylphenyl)sulfonyl]acrylate
CID 832397
2-(Benzenesulfonyl)ethyl acetate
CID 44377376
Acrylic acid, 3-(phenylthio)-, ethyl ester
CID 5373873
Ethyl 2-((phenylsulfonyl)methyl)acrylate
CID 361163
Acetic acid, (p-tolylsulfonyl)-, ethyl ester
CID 76102
3-(Phenylthio)-2(5H)-furanone
CID 341958

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-methyl-2H-furan-5-one?
The IUPAC name of 2-(benzenesulfonyl)-3-methyl-2H-furan-5-one (CID 14416391) is 2-(benzenesulfonyl)-3-methyl-2H-furan-5-one.
What is the SMILES notation for 2-(benzenesulfonyl)-3-methyl-2H-furan-5-one?
The canonical SMILES for 2-(benzenesulfonyl)-3-methyl-2H-furan-5-one is CC1=CC(=O)OC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-3-methyl-2H-furan-5-one?
The InChIKey is FNLYFFIMFAYWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S/c1-8-7-10(12)15-11(8)16(13,14)9-5-3-2-4-6-9/h2-7,11H,1H3.
What are the key properties of 2-(benzenesulfonyl)-3-methyl-2H-furan-5-one?
2-(benzenesulfonyl)-3-methyl-2H-furan-5-one has a molecular weight of 238.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-methyl-2H-furan-5-one is sourced from PubChem (CID 14416391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).