3-(benzenesulfonyl)-3H-2-benzofuran-1-one

C14H10O4S — CID 4262289

IUPAC3-(benzenesulfonyl)-3H-2-benzofuran-1-one
SMILESO=C1OC(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C14H10O4S/c15-13-11-8-4-5-9-12(11)14(18-13)19(16,17)10-6-2-1-3-7-10/h1-9,14H
InChIKeyQTJWMKNNPMOKSS-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.33
Rot. Bonds2

About 3-(benzenesulfonyl)-3H-2-benzofuran-1-one

3-(benzenesulfonyl)-3H-2-benzofuran-1-one (PubChem CID 4262289) has the molecular formula C14H10O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-3H-2-benzofuran-1-one
PubChem CID4262289
Molecular FormulaC14H10O4S
Molecular Weight274.30 g/mol
Exact Mass274.03
IUPAC Name3-(benzenesulfonyl)-3H-2-benzofuran-1-one
SMILESO=C1OC(S(=O)(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C14H10O4S/c15-13-11-8-4-5-9-12(11)14(18-13)19(16,17)10-6-2-1-3-7-10/h1-9,14H
InChIKeyQTJWMKNNPMOKSS-UHFFFAOYSA-N
XLogP2.33
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(benzenesulfonyl)-3H-2-benzofuran-1-one (CID 4262289) is 3-(benzenesulfonyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(benzenesulfonyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(benzenesulfonyl)-3H-2-benzofuran-1-one is O=C1OC(S(=O)(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(benzenesulfonyl)-3H-2-benzofuran-1-one?
The InChIKey is QTJWMKNNPMOKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4S/c15-13-11-8-4-5-9-12(11)14(18-13)19(16,17)10-6-2-1-3-7-10/h1-9,14H.
What are the key properties of 3-(benzenesulfonyl)-3H-2-benzofuran-1-one?
3-(benzenesulfonyl)-3H-2-benzofuran-1-one has a molecular weight of 274.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 4262289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).