3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine

C16H16BrNO4S2 — CID 90585024

IUPAC3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2Br)C1
InChIInChI=1S/C16H16BrNO4S2/c17-15-8-4-5-9-16(15)24(21,22)18-11-10-14(12-18)23(19,20)13-6-2-1-3-7-13/h1-9,14H,10-12H2
InChIKeyMAPNSZLFAWNDQH-UHFFFAOYSA-N
MW430.35 g/mol
LogP2.69
Rot. Bonds4

About 3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine

3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine (PubChem CID 90585024) has the molecular formula C16H16BrNO4S2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine
PubChem CID90585024
Molecular FormulaC16H16BrNO4S2
Molecular Weight430.35 g/mol
Exact Mass428.97
IUPAC Name3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2Br)C1
InChIInChI=1S/C16H16BrNO4S2/c17-15-8-4-5-9-16(15)24(21,22)18-11-10-14(12-18)23(19,20)13-6-2-1-3-7-13/h1-9,14H,10-12H2
InChIKeyMAPNSZLFAWNDQH-UHFFFAOYSA-N
XLogP2.69
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonyl)-1-(2-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

Related Compounds

3-(benzenesulfonyl)-1-(2-ethoxyphenyl)sulfonylpyrrolidine
CID 71805611
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
3-(benzenesulfonyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 90584959
1-(2-bromophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594041
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478
4-(bromomethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80668441
2-[1-(2-bromophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121178865
3-(2-bromoethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80674640
[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969035
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 71808782
[1-(2-bromophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963995
1-(2-bromophenyl)sulfonylpiperidine-3-carbaldehyde
CID 63846227

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine?
The IUPAC name of 3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine (CID 90585024) is 3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine is O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2Br)C1.
What is the InChIKey of 3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine?
The InChIKey is MAPNSZLFAWNDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO4S2/c17-15-8-4-5-9-16(15)24(21,22)18-11-10-14(12-18)23(19,20)13-6-2-1-3-7-13/h1-9,14H,10-12H2.
What are the key properties of 3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine?
3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine has a molecular weight of 430.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 90585024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).