4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine

C11H12BrCl2NO2S — CID 80672110

IUPAC4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(Br)CC1
InChIInChI=1S/C11H12BrCl2NO2S/c12-8-3-5-15(6-4-8)18(16,17)9-1-2-10(13)11(14)7-9/h1-2,7-8H,3-6H2
InChIKeyIHNZYTTVROTXKL-UHFFFAOYSA-N
MW373.10 g/mol
LogP3.54
Rot. Bonds2

About 4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine

4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine (PubChem CID 80672110) has the molecular formula C11H12BrCl2NO2S and a molecular weight of 373.10 g/mol. Its IUPAC name is 4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
PubChem CID80672110
Molecular FormulaC11H12BrCl2NO2S
Molecular Weight373.10 g/mol
Exact Mass370.91
IUPAC Name4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(Br)CC1
InChIInChI=1S/C11H12BrCl2NO2S/c12-8-3-5-15(6-4-8)18(16,17)9-1-2-10(13)11(14)7-9/h1-2,7-8H,3-6H2
InChIKeyIHNZYTTVROTXKL-UHFFFAOYSA-N
XLogP3.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.10
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine 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-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine
CID 106613066
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573
3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 63397150
4-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 68554209
1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 23738911
1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714288
N-[[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990721
3-(bromomethyl)-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80676262
methyl 1-(3,4-dichlorophenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732213
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 24511493
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine?
The IUPAC name of 4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine (CID 80672110) is 4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine.
What is the SMILES notation for 4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine?
The canonical SMILES for 4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC(Br)CC1.
What is the InChIKey of 4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine?
The InChIKey is IHNZYTTVROTXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO2S/c12-8-3-5-15(6-4-8)18(16,17)9-1-2-10(13)11(14)7-9/h1-2,7-8H,3-6H2.
What are the key properties of 4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine?
4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine has a molecular weight of 373.10 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine is sourced from PubChem (CID 80672110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).