2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide

C10H11FINO2S — CID 79767144

IUPAC2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CN(c2ccc(F)cc2I)S(=O)(=O)C1
InChIInChI=1S/C10H11FINO2S/c1-7-5-13(16(14,15)6-7)10-3-2-8(11)4-9(10)12/h2-4,7H,5-6H2,1H3
InChIKeyBSZWBOBYIXVBMT-UHFFFAOYSA-N
MW355.17 g/mol
LogP2.22
Rot. Bonds1

About 2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide

2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 79767144) has the molecular formula C10H11FINO2S and a molecular weight of 355.17 g/mol. Its IUPAC name is 2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID79767144
Molecular FormulaC10H11FINO2S
Molecular Weight355.17 g/mol
Exact Mass354.95
IUPAC Name2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CN(c2ccc(F)cc2I)S(=O)(=O)C1
InChIInChI=1S/C10H11FINO2S/c1-7-5-13(16(14,15)6-7)10-3-2-8(11)4-9(10)12/h2-4,7H,5-6H2,1H3
InChIKeyBSZWBOBYIXVBMT-UHFFFAOYSA-N
XLogP2.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide (CID 79767144) is 2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide is CC1CN(c2ccc(F)cc2I)S(=O)(=O)C1.
What is the InChIKey of 2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is BSZWBOBYIXVBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FINO2S/c1-7-5-13(16(14,15)6-7)10-3-2-8(11)4-9(10)12/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 355.17 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 79767144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).