1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine

C10H11BrClNO2S — CID 2552574

IUPAC1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N1CCCC1
InChIInChI=1S/C10H11BrClNO2S/c11-8-3-4-10(9(12)7-8)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKeyGMPVQGNDOZBSCN-UHFFFAOYSA-N
MW324.63 g/mol
LogP2.89
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine

1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine (PubChem CID 2552574) has the molecular formula C10H11BrClNO2S and a molecular weight of 324.63 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine
PubChem CID2552574
Molecular FormulaC10H11BrClNO2S
Molecular Weight324.63 g/mol
Exact Mass322.94
IUPAC Name1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N1CCCC1
InChIInChI=1S/C10H11BrClNO2S/c11-8-3-4-10(9(12)7-8)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKeyGMPVQGNDOZBSCN-UHFFFAOYSA-N
XLogP2.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.63
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine 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 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine (CID 2552574) is 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(Br)cc1Cl)N1CCCC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine?
The InChIKey is GMPVQGNDOZBSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2S/c11-8-3-4-10(9(12)7-8)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine?
1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine has a molecular weight of 324.63 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 2552574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).