3-(benzenesulfonyl)thiolane 1,1-dioxide

C10H12O4S2 — CID 3972591

IUPAC3-(benzenesulfonyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C10H12O4S2/c11-15(12)7-6-10(8-15)16(13,14)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyFRPIHVBWSMHUNO-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.65
Rot. Bonds2

About 3-(benzenesulfonyl)thiolane 1,1-dioxide

3-(benzenesulfonyl)thiolane 1,1-dioxide (PubChem CID 3972591) has the molecular formula C10H12O4S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(benzenesulfonyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(benzenesulfonyl)thiolane 1,1-dioxide
PubChem CID3972591
Molecular FormulaC10H12O4S2
Molecular Weight260.34 g/mol
Exact Mass260.02
IUPAC Name3-(benzenesulfonyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C10H12O4S2/c11-15(12)7-6-10(8-15)16(13,14)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyFRPIHVBWSMHUNO-UHFFFAOYSA-N
XLogP0.65
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)thiolane 1,1-dioxide?
The IUPAC name of 3-(benzenesulfonyl)thiolane 1,1-dioxide (CID 3972591) is 3-(benzenesulfonyl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(benzenesulfonyl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(benzenesulfonyl)thiolane 1,1-dioxide is O=S1(=O)CCC(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 3-(benzenesulfonyl)thiolane 1,1-dioxide?
The InChIKey is FRPIHVBWSMHUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S2/c11-15(12)7-6-10(8-15)16(13,14)9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 3-(benzenesulfonyl)thiolane 1,1-dioxide?
3-(benzenesulfonyl)thiolane 1,1-dioxide has a molecular weight of 260.34 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)thiolane 1,1-dioxide is sourced from PubChem (CID 3972591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).