1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine

C16H23BrN2O2S — CID 23605220

IUPAC1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H23BrN2O2S/c17-14-4-6-16(7-5-14)22(20,21)19-12-8-15(9-13-19)18-10-2-1-3-11-18/h4-7,15H,1-3,8-13H2
InChIKeyCABBDOCCWXKFDG-UHFFFAOYSA-N
MW387.34 g/mol
LogP3.09
Rot. Bonds3

About 1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine

1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine (PubChem CID 23605220) has the molecular formula C16H23BrN2O2S and a molecular weight of 387.34 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine
PubChem CID23605220
Molecular FormulaC16H23BrN2O2S
Molecular Weight387.34 g/mol
Exact Mass386.07
IUPAC Name1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H23BrN2O2S/c17-14-4-6-16(7-5-14)22(20,21)19-12-8-15(9-13-19)18-10-2-1-3-11-18/h4-7,15H,1-3,8-13H2
InChIKeyCABBDOCCWXKFDG-UHFFFAOYSA-N
XLogP3.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine (CID 23605220) is 1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine is O=S(=O)(c1ccc(Br)cc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine?
The InChIKey is CABBDOCCWXKFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2S/c17-14-4-6-16(7-5-14)22(20,21)19-12-8-15(9-13-19)18-10-2-1-3-11-18/h4-7,15H,1-3,8-13H2.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine?
1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine has a molecular weight of 387.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 23605220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).