1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine

C12H15BrClNO2S — CID 63396570

IUPAC1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine
SMILESO=S(=O)(c1ccccc1Br)N1CCCCC1CCl
InChIInChI=1S/C12H15BrClNO2S/c13-11-6-1-2-7-12(11)18(16,17)15-8-4-3-5-10(15)9-14/h1-2,6-7,10H,3-5,8-9H2
InChIKeySUXKNEAQRIYUSE-UHFFFAOYSA-N
MW352.68 g/mol
LogP3.23
Rot. Bonds3

About 1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine

1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine (PubChem CID 63396570) has the molecular formula C12H15BrClNO2S and a molecular weight of 352.68 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine
PubChem CID63396570
Molecular FormulaC12H15BrClNO2S
Molecular Weight352.68 g/mol
Exact Mass350.97
IUPAC Name1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine
SMILESO=S(=O)(c1ccccc1Br)N1CCCCC1CCl
InChIInChI=1S/C12H15BrClNO2S/c13-11-6-1-2-7-12(11)18(16,17)15-8-4-3-5-10(15)9-14/h1-2,6-7,10H,3-5,8-9H2
InChIKeySUXKNEAQRIYUSE-UHFFFAOYSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.68
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine 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

2-(2-bromoethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80670333
1-(2-bromophenyl)sulfonyl-2-(3-chloropropyl)pyrrolidine
CID 63400724
1-[(2S)-1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 124574951
1-[1-(2-bromophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316542
1-(2-bromophenyl)sulfonylpiperidin-2-amine
CID 43123733
1-(2-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 47104020
2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylazepane
CID 116639751
2-(chloromethyl)-1-(2,4-dimethylphenyl)sulfonylazepane
CID 116639743
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
2-(bromomethyl)-1-(2-fluorophenyl)sulfonylazepane
CID 116639734
1-(2-bromophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036015
2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 63396610

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine (CID 63396570) is 1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine is O=S(=O)(c1ccccc1Br)N1CCCCC1CCl.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine?
The InChIKey is SUXKNEAQRIYUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2S/c13-11-6-1-2-7-12(11)18(16,17)15-8-4-3-5-10(15)9-14/h1-2,6-7,10H,3-5,8-9H2.
What are the key properties of 1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine?
1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine has a molecular weight of 352.68 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-2-(chloromethyl)piperidine is sourced from PubChem (CID 63396570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).