3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine

C13H13NO3S2 — CID 3242237

IUPAC3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine
SMILESO=S(=O)(c1ccccc1)N1CCSC1c1ccco1
InChIInChI=1S/C13H13NO3S2/c15-19(16,11-5-2-1-3-6-11)14-8-10-18-13(14)12-7-4-9-17-12/h1-7,9,13H,8,10H2
InChIKeyQCKCOVPDMMVVCU-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.72
Rot. Bonds3

About 3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine

3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine (PubChem CID 3242237) has the molecular formula C13H13NO3S2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine
PubChem CID3242237
Molecular FormulaC13H13NO3S2
Molecular Weight295.38 g/mol
Exact Mass295.03
IUPAC Name3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine
SMILESO=S(=O)(c1ccccc1)N1CCSC1c1ccco1
InChIInChI=1S/C13H13NO3S2/c15-19(16,11-5-2-1-3-6-11)14-8-10-18-13(14)12-7-4-9-17-12/h1-7,9,13H,8,10H2
InChIKeyQCKCOVPDMMVVCU-UHFFFAOYSA-N
XLogP2.72
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine?
The IUPAC name of 3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine (CID 3242237) is 3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine?
The canonical SMILES for 3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine is O=S(=O)(c1ccccc1)N1CCSC1c1ccco1.
What is the InChIKey of 3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine?
The InChIKey is QCKCOVPDMMVVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S2/c15-19(16,11-5-2-1-3-6-11)14-8-10-18-13(14)12-7-4-9-17-12/h1-7,9,13H,8,10H2.
What are the key properties of 3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine?
3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine has a molecular weight of 295.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-(furan-2-yl)-1,3-thiazolidine is sourced from PubChem (CID 3242237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).