1-(4-bromophenyl)sulfonylpyrrolidine

C10H12BrNO2S — CID 738618

IUPAC1-(4-bromophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C10H12BrNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8H2
InChIKeyJMOJWOSNSJXQMT-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.23
Rot. Bonds2

About 1-(4-bromophenyl)sulfonylpyrrolidine

1-(4-bromophenyl)sulfonylpyrrolidine (PubChem CID 738618) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonylpyrrolidine
PubChem CID738618
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name1-(4-bromophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCC1
InChIInChI=1S/C10H12BrNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8H2
InChIKeyJMOJWOSNSJXQMT-UHFFFAOYSA-N
XLogP2.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)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-bromophenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-bromophenyl)sulfonylpyrrolidine (CID 738618) is 1-(4-bromophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-bromophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccc(Br)cc1)N1CCCC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonylpyrrolidine?
The InChIKey is JMOJWOSNSJXQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8H2.
What are the key properties of 1-(4-bromophenyl)sulfonylpyrrolidine?
1-(4-bromophenyl)sulfonylpyrrolidine has a molecular weight of 290.18 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 738618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).