2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide

C8H9FN2O2S — CID 117003000

IUPAC2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1c1ccccc1F
InChIInChI=1S/C8H9FN2O2S/c9-7-3-1-2-4-8(7)11-6-5-10-14(11,12)13/h1-4,10H,5-6H2
InChIKeyGTUNBSMXBPWLFM-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.48
Rot. Bonds1

About 2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide

2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 117003000) has the molecular formula C8H9FN2O2S and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID117003000
Molecular FormulaC8H9FN2O2S
Molecular Weight216.24 g/mol
Exact Mass216.04
IUPAC Name2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1c1ccccc1F
InChIInChI=1S/C8H9FN2O2S/c9-7-3-1-2-4-8(7)11-6-5-10-14(11,12)13/h1-4,10H,5-6H2
InChIKeyGTUNBSMXBPWLFM-UHFFFAOYSA-N
XLogP0.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide (CID 117003000) is 2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)NCCN1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is GTUNBSMXBPWLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2S/c9-7-3-1-2-4-8(7)11-6-5-10-14(11,12)13/h1-4,10H,5-6H2.
What are the key properties of 2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide?
2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 216.24 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 117003000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).