2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide

C10H11BrFNO2S — CID 79580802

IUPAC2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CN(c2ccc(F)cc2Br)S(=O)(=O)C1
InChIInChI=1S/C10H11BrFNO2S/c1-7-5-13(16(14,15)6-7)10-3-2-8(12)4-9(10)11/h2-4,7H,5-6H2,1H3
InChIKeyRDNQCSMNZWSZLK-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.37
Rot. Bonds1

About 2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide

2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 79580802) has the molecular formula C10H11BrFNO2S and a molecular weight of 308.17 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID79580802
Molecular FormulaC10H11BrFNO2S
Molecular Weight308.17 g/mol
Exact Mass306.97
IUPAC Name2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CN(c2ccc(F)cc2Br)S(=O)(=O)C1
InChIInChI=1S/C10H11BrFNO2S/c1-7-5-13(16(14,15)6-7)10-3-2-8(12)4-9(10)11/h2-4,7H,5-6H2,1H3
InChIKeyRDNQCSMNZWSZLK-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide (CID 79580802) is 2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide is CC1CN(c2ccc(F)cc2Br)S(=O)(=O)C1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is RDNQCSMNZWSZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2S/c1-7-5-13(16(14,15)6-7)10-3-2-8(12)4-9(10)11/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 308.17 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 79580802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).