1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine

C13H17BrClNO2S — CID 42999354

IUPAC1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClNO2S/c1-2-11-5-3-4-8-16(11)19(17,18)13-7-6-10(14)9-12(13)15/h6-7,9,11H,2-5,8H2,1H3
InChIKeyFZVFPXPGZDXYJY-UHFFFAOYSA-N
MW366.71 g/mol
LogP4.06
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine

1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine (PubChem CID 42999354) has the molecular formula C13H17BrClNO2S and a molecular weight of 366.71 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
PubChem CID42999354
Molecular FormulaC13H17BrClNO2S
Molecular Weight366.71 g/mol
Exact Mass364.99
IUPAC Name1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClNO2S/c1-2-11-5-3-4-8-16(11)19(17,18)13-7-6-10(14)9-12(13)15/h6-7,9,11H,2-5,8H2,1H3
InChIKeyFZVFPXPGZDXYJY-UHFFFAOYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.71
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine (CID 42999354) is 1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine is CCC1CCCCN1S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine?
The InChIKey is FZVFPXPGZDXYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2S/c1-2-11-5-3-4-8-16(11)19(17,18)13-7-6-10(14)9-12(13)15/h6-7,9,11H,2-5,8H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine?
1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine has a molecular weight of 366.71 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine is sourced from PubChem (CID 42999354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).