1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine

C13H18BrNO4S — CID 1143554

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine
SMILESCOc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1Br
InChIInChI=1S/C13H18BrNO4S/c1-18-11-9-13(12(19-2)8-10(11)14)20(16,17)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3
InChIKeyLHEUXZPVBVHRNU-UHFFFAOYSA-N
MW364.26 g/mol
LogP2.64
Rot. Bonds4

About 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine

1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine (PubChem CID 1143554) has the molecular formula C13H18BrNO4S and a molecular weight of 364.26 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine
PubChem CID1143554
Molecular FormulaC13H18BrNO4S
Molecular Weight364.26 g/mol
Exact Mass363.01
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine
SMILESCOc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1Br
InChIInChI=1S/C13H18BrNO4S/c1-18-11-9-13(12(19-2)8-10(11)14)20(16,17)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3
InChIKeyLHEUXZPVBVHRNU-UHFFFAOYSA-N
XLogP2.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2969390
1-[(4-Bromo-2,5-dimethoxyphenyl)sulfonyl]-4-methylpiperazine
CID 660834
1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane
CID 566593
1-(3-Bromo-4-methoxyphenyl)sulfonylpiperidine
CID 738615
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059
1-[(2,5-Dimethoxyphenyl)sulfonyl]piperidine
CID 2254727
4-Bromo-2,5-dimethoxybenzene-1-sulfonyl chloride
CID 50876050
4-(4-Bromo-2,5-dimethoxybenzenesulfonyl)morpholine
CID 1143556
4-bromo-N-(3-(dimethylamino)propyl)-2,5-dimethoxybenzenesulfonamide
CID 8721951
1-((4-Bromo-2,5-dimethoxyphenyl)sulfonyl)piperidine-4-carboxamide
CID 15944023
2-(4-((4-Bromo-2,5-dimethoxyphenyl)sulfonyl)piperazin-1-yl)ethanol
CID 16210947
4-bromo-2,5-dimethoxy-N-(3-morpholinopropyl)benzenesulfonamide
CID 16644709

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine (CID 1143554) is 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine is COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1Br.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine?
The InChIKey is LHEUXZPVBVHRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4S/c1-18-11-9-13(12(19-2)8-10(11)14)20(16,17)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine?
1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine has a molecular weight of 364.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 1143554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).