2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide

C9H9F3N2O2S — CID 141076637

IUPAC2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1Cc1c(F)cc(F)cc1F
InChIInChI=1S/C9H9F3N2O2S/c10-6-3-8(11)7(9(12)4-6)5-14-2-1-13-17(14,15)16/h3-4,13H,1-2,5H2
InChIKeyNSCLVXGQINAKNL-UHFFFAOYSA-N
MW266.24 g/mol
LogP0.75
Rot. Bonds2

About 2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide

2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 141076637) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is 2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID141076637
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Name2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide
SMILESO=S1(=O)NCCN1Cc1c(F)cc(F)cc1F
InChIInChI=1S/C9H9F3N2O2S/c10-6-3-8(11)7(9(12)4-6)5-14-2-1-13-17(14,15)16/h3-4,13H,1-2,5H2
InChIKeyNSCLVXGQINAKNL-UHFFFAOYSA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of 2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide (CID 141076637) is 2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for 2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide is O=S1(=O)NCCN1Cc1c(F)cc(F)cc1F.
What is the InChIKey of 2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is NSCLVXGQINAKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c10-6-3-8(11)7(9(12)4-6)5-14-2-1-13-17(14,15)16/h3-4,13H,1-2,5H2.
What are the key properties of 2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide?
2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 266.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trifluorophenyl)methyl]-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 141076637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).