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

C9H9BrFNO2S — CID 28939241

IUPAC2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO2S/c10-8-6-7(11)2-3-9(8)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5H2
InChIKeyLLSRAFLEULSZFG-UHFFFAOYSA-N
MW294.14 g/mol
LogP2.13
Rot. Bonds1

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

2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 28939241) has the molecular formula C9H9BrFNO2S and a molecular weight of 294.14 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID28939241
Molecular FormulaC9H9BrFNO2S
Molecular Weight294.14 g/mol
Exact Mass292.95
IUPAC Name2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO2S/c10-8-6-7(11)2-3-9(8)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5H2
InChIKeyLLSRAFLEULSZFG-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzonitrile
CID 107796158
2-(2-bromo-4-methylphenyl)thiazinane 1,1-dioxide
CID 82094857
3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-fluorophenyl]prop-2-yn-1-ol
CID 54922552
2-(2-fluorophenyl)-1,2-thiazolidine 1,1-dioxide
CID 71683758
2-[2-bromo-5-(trifluoromethyl)phenyl]thiazinane 1,1-dioxide
CID 114043039
2-(3-fluorophenyl)thiazinane 1,1-dioxide
CID 82081520
4-bromo-2-(1,1-dioxo-1,2-thiazolidin-2-yl)benzonitrile
CID 107798481
4-(1,1-dioxothiazinan-2-yl)-3-fluorobenzoic acid
CID 116814448
2-(2-fluorophenyl)thiazinane 1,1-dioxide
CID 82081518
2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
CID 166380566
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylaniline
CID 16642516
2-bromo-4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
CID 82864339

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide (CID 28939241) is 2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1c1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is LLSRAFLEULSZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2S/c10-8-6-7(11)2-3-9(8)12-4-1-5-15(12,13)14/h2-3,6H,1,4-5H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide?
2-(2-bromo-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 294.14 g/mol, XLogP of 2.13, 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)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 28939241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).