4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine

C16H17BrClNO2S2 — CID 2809818

IUPAC4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1cc(Br)c(Cl)s1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H17BrClNO2S2/c17-14-11-15(22-16(14)18)23(20,21)19-8-6-13(7-9-19)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2
InChIKeyVERRFQGHTAFFHL-UHFFFAOYSA-N
MW434.81 g/mol
LogP4.81
Rot. Bonds4

About 4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine

4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine (PubChem CID 2809818) has the molecular formula C16H17BrClNO2S2 and a molecular weight of 434.81 g/mol. Its IUPAC name is 4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine
PubChem CID2809818
Molecular FormulaC16H17BrClNO2S2
Molecular Weight434.81 g/mol
Exact Mass432.96
IUPAC Name4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1cc(Br)c(Cl)s1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H17BrClNO2S2/c17-14-11-15(22-16(14)18)23(20,21)19-8-6-13(7-9-19)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2
InChIKeyVERRFQGHTAFFHL-UHFFFAOYSA-N
XLogP4.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.81
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine 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 4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine (CID 2809818) is 4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine is O=S(=O)(c1cc(Br)c(Cl)s1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine?
The InChIKey is VERRFQGHTAFFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2S2/c17-14-11-15(22-16(14)18)23(20,21)19-8-6-13(7-9-19)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2.
What are the key properties of 4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine?
4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine has a molecular weight of 434.81 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 2809818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).