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

C9H11BrClNO2S2 — CID 2741064

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1cc(Br)c(Cl)s1)N1CCCCC1
InChIInChI=1S/C9H11BrClNO2S2/c10-7-6-8(15-9(7)11)16(13,14)12-4-2-1-3-5-12/h6H,1-5H2
InChIKeyNJJNVBQMCPNPQH-UHFFFAOYSA-N
MW344.68 g/mol
LogP3.34
Rot. Bonds2

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

1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine (PubChem CID 2741064) has the molecular formula C9H11BrClNO2S2 and a molecular weight of 344.68 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine
PubChem CID2741064
Molecular FormulaC9H11BrClNO2S2
Molecular Weight344.68 g/mol
Exact Mass342.91
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1cc(Br)c(Cl)s1)N1CCCCC1
InChIInChI=1S/C9H11BrClNO2S2/c10-7-6-8(15-9(7)11)16(13,14)12-4-2-1-3-5-12/h6H,1-5H2
InChIKeyNJJNVBQMCPNPQH-UHFFFAOYSA-N
XLogP3.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine (CID 2741064) is 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine is O=S(=O)(c1cc(Br)c(Cl)s1)N1CCCCC1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine?
The InChIKey is NJJNVBQMCPNPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S2/c10-7-6-8(15-9(7)11)16(13,14)12-4-2-1-3-5-12/h6H,1-5H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine?
1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine has a molecular weight of 344.68 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 2741064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).