benzenesulfonylbenzene;thiolane 1,1-dioxide

C16H18O4S2 — CID 70469989

IUPACbenzenesulfonylbenzene;thiolane 1,1-dioxide
SMILESO=S(=O)(c1ccccc1)c1ccccc1.O=S1(=O)CCCC1
InChIInChI=1S/C12H10O2S.C4H8O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;5-7(6)3-1-2-4-7/h1-10H;1-4H2
InChIKeyVELHJGZIELNIFR-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.71
Rot. Bonds2

About benzenesulfonylbenzene;thiolane 1,1-dioxide

benzenesulfonylbenzene;thiolane 1,1-dioxide (PubChem CID 70469989) has the molecular formula C16H18O4S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is benzenesulfonylbenzene;thiolane 1,1-dioxide.

Molecular Properties

Compound Namebenzenesulfonylbenzene;thiolane 1,1-dioxide
PubChem CID70469989
Molecular FormulaC16H18O4S2
Molecular Weight338.45 g/mol
Exact Mass338.06
IUPAC Namebenzenesulfonylbenzene;thiolane 1,1-dioxide
SMILESO=S(=O)(c1ccccc1)c1ccccc1.O=S1(=O)CCCC1
InChIInChI=1S/C12H10O2S.C4H8O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;5-7(6)3-1-2-4-7/h1-10H;1-4H2
InChIKeyVELHJGZIELNIFR-UHFFFAOYSA-N
XLogP2.71
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonylbenzene;thiolane 1,1-dioxide?
The IUPAC name of benzenesulfonylbenzene;thiolane 1,1-dioxide (CID 70469989) is benzenesulfonylbenzene;thiolane 1,1-dioxide.
What is the SMILES notation for benzenesulfonylbenzene;thiolane 1,1-dioxide?
The canonical SMILES for benzenesulfonylbenzene;thiolane 1,1-dioxide is O=S(=O)(c1ccccc1)c1ccccc1.O=S1(=O)CCCC1.
What is the InChIKey of benzenesulfonylbenzene;thiolane 1,1-dioxide?
The InChIKey is VELHJGZIELNIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S.C4H8O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;5-7(6)3-1-2-4-7/h1-10H;1-4H2.
What are the key properties of benzenesulfonylbenzene;thiolane 1,1-dioxide?
benzenesulfonylbenzene;thiolane 1,1-dioxide has a molecular weight of 338.45 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonylbenzene;thiolane 1,1-dioxide is sourced from PubChem (CID 70469989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).