1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine

C12H15BrClNO3S — CID 31672262

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H15BrClNO3S/c1-18-12-10(13)7-9(14)8-11(12)19(16,17)15-5-3-2-4-6-15/h7-8H,2-6H2,1H3
InChIKeyCLNVZHQDIVMYRT-UHFFFAOYSA-N
MW368.68 g/mol
LogP3.29
Rot. Bonds3

About 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine

1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine (PubChem CID 31672262) has the molecular formula C12H15BrClNO3S and a molecular weight of 368.68 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine
PubChem CID31672262
Molecular FormulaC12H15BrClNO3S
Molecular Weight368.68 g/mol
Exact Mass366.96
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H15BrClNO3S/c1-18-12-10(13)7-9(14)8-11(12)19(16,17)15-5-3-2-4-6-15/h7-8H,2-6H2,1H3
InChIKeyCLNVZHQDIVMYRT-UHFFFAOYSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.68
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine (CID 31672262) is 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine is COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine?
The InChIKey is CLNVZHQDIVMYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO3S/c1-18-12-10(13)7-9(14)8-11(12)19(16,17)15-5-3-2-4-6-15/h7-8H,2-6H2,1H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine?
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine has a molecular weight of 368.68 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 31672262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).