4-(2-bromophenyl)sulfonylpiperidine

C11H14BrNO2S — CID 11023104

IUPAC4-(2-bromophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccccc1Br)C1CCNCC1
InChIInChI=1S/C11H14BrNO2S/c12-10-3-1-2-4-11(10)16(14,15)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKeyRNVZCPUPFIJEPW-UHFFFAOYSA-N
MW304.21 g/mol
LogP1.97
Rot. Bonds2

About 4-(2-bromophenyl)sulfonylpiperidine

4-(2-bromophenyl)sulfonylpiperidine (PubChem CID 11023104) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfonylpiperidine
PubChem CID11023104
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name4-(2-bromophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccccc1Br)C1CCNCC1
InChIInChI=1S/C11H14BrNO2S/c12-10-3-1-2-4-11(10)16(14,15)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKeyRNVZCPUPFIJEPW-UHFFFAOYSA-N
XLogP1.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)sulfonylpiperidine?
The IUPAC name of 4-(2-bromophenyl)sulfonylpiperidine (CID 11023104) is 4-(2-bromophenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(2-bromophenyl)sulfonylpiperidine?
The canonical SMILES for 4-(2-bromophenyl)sulfonylpiperidine is O=S(=O)(c1ccccc1Br)C1CCNCC1.
What is the InChIKey of 4-(2-bromophenyl)sulfonylpiperidine?
The InChIKey is RNVZCPUPFIJEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c12-10-3-1-2-4-11(10)16(14,15)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2.
What are the key properties of 4-(2-bromophenyl)sulfonylpiperidine?
4-(2-bromophenyl)sulfonylpiperidine has a molecular weight of 304.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfonylpiperidine is sourced from PubChem (CID 11023104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).