3-(benzenesulfonyl)thiophene

C10H8O2S2 — CID 519297

IUPAC3-(benzenesulfonyl)thiophene
SMILESO=S(=O)(c1ccccc1)c1ccsc1
InChIInChI=1S/C10H8O2S2/c11-14(12,10-6-7-13-8-10)9-4-2-1-3-5-9/h1-8H
InChIKeyLGGLKPFTYFIQSY-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.58
Rot. Bonds2

About 3-(benzenesulfonyl)thiophene

3-(benzenesulfonyl)thiophene (PubChem CID 519297) has the molecular formula C10H8O2S2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-(benzenesulfonyl)thiophene.

Molecular Properties

Compound Name3-(benzenesulfonyl)thiophene
PubChem CID519297
Molecular FormulaC10H8O2S2
Molecular Weight224.31 g/mol
Exact Mass224.00
IUPAC Name3-(benzenesulfonyl)thiophene
SMILESO=S(=O)(c1ccccc1)c1ccsc1
InChIInChI=1S/C10H8O2S2/c11-14(12,10-6-7-13-8-10)9-4-2-1-3-5-9/h1-8H
InChIKeyLGGLKPFTYFIQSY-UHFFFAOYSA-N
XLogP2.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)thiophene?
The IUPAC name of 3-(benzenesulfonyl)thiophene (CID 519297) is 3-(benzenesulfonyl)thiophene.
What is the SMILES notation for 3-(benzenesulfonyl)thiophene?
The canonical SMILES for 3-(benzenesulfonyl)thiophene is O=S(=O)(c1ccccc1)c1ccsc1.
What is the InChIKey of 3-(benzenesulfonyl)thiophene?
The InChIKey is LGGLKPFTYFIQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S2/c11-14(12,10-6-7-13-8-10)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 3-(benzenesulfonyl)thiophene?
3-(benzenesulfonyl)thiophene has a molecular weight of 224.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)thiophene is sourced from PubChem (CID 519297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).