1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine

C17H19NO4S2 — CID 648782

IUPAC1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H19NO4S2/c19-23(20,15-8-3-1-4-9-15)16-10-7-11-17(14-16)24(21,22)18-12-5-2-6-13-18/h1,3-4,7-11,14H,2,5-6,12-13H2
InChIKeyIJBSVVTYSRQCFW-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.69
Rot. Bonds4

About 1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine

1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine (PubChem CID 648782) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine
PubChem CID648782
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC Name1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H19NO4S2/c19-23(20,15-8-3-1-4-9-15)16-10-7-11-17(14-16)24(21,22)18-12-5-2-6-13-18/h1,3-4,7-11,14H,2,5-6,12-13H2
InChIKeyIJBSVVTYSRQCFW-UHFFFAOYSA-N
XLogP2.69
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine?
The IUPAC name of 1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine (CID 648782) is 1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine is O=S(=O)(c1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine?
The InChIKey is IJBSVVTYSRQCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c19-23(20,15-8-3-1-4-9-15)16-10-7-11-17(14-16)24(21,22)18-12-5-2-6-13-18/h1,3-4,7-11,14H,2,5-6,12-13H2.
What are the key properties of 1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine?
1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine has a molecular weight of 365.48 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 648782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).