2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide

C9H10BrNO2S — CID 12544216

IUPAC2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1ccccc1Br
InChIInChI=1S/C9H10BrNO2S/c10-8-4-1-2-5-9(8)11-6-3-7-14(11,12)13/h1-2,4-5H,3,6-7H2
InChIKeyXYPXIGBSXPLFNW-UHFFFAOYSA-N
MW276.15 g/mol
LogP1.99
Rot. Bonds1

About 2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide

2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 12544216) has the molecular formula C9H10BrNO2S and a molecular weight of 276.15 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID12544216
Molecular FormulaC9H10BrNO2S
Molecular Weight276.15 g/mol
Exact Mass274.96
IUPAC Name2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1ccccc1Br
InChIInChI=1S/C9H10BrNO2S/c10-8-4-1-2-5-9(8)11-6-3-7-14(11,12)13/h1-2,4-5H,3,6-7H2
InChIKeyXYPXIGBSXPLFNW-UHFFFAOYSA-N
XLogP1.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide (CID 12544216) is 2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is XYPXIGBSXPLFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c10-8-4-1-2-5-9(8)11-6-3-7-14(11,12)13/h1-2,4-5H,3,6-7H2.
What are the key properties of 2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide?
2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 276.15 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 12544216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).