2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one

C23H26N2O5S2 — CID 981039

IUPAC2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one
SMILESO=C1c2cc(S(=O)(=O)N3CCCCC3)ccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc21
InChIInChI=1S/C23H26N2O5S2/c26-23-21-15-17(31(27,28)24-11-3-1-4-12-24)7-9-19(21)20-10-8-18(16-22(20)23)32(29,30)25-13-5-2-6-14-25/h7-10,15-16H,1-6,11-14H2
InChIKeySXPGHJYFEBJAMV-UHFFFAOYSA-N
MW474.60 g/mol
LogP3.25
Rot. Bonds4

About 2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one

2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one (PubChem CID 981039) has the molecular formula C23H26N2O5S2 and a molecular weight of 474.60 g/mol. Its IUPAC name is 2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one.

Molecular Properties

Compound Name2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one
PubChem CID981039
Molecular FormulaC23H26N2O5S2
Molecular Weight474.60 g/mol
Exact Mass474.13
IUPAC Name2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one
SMILESO=C1c2cc(S(=O)(=O)N3CCCCC3)ccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc21
InChIInChI=1S/C23H26N2O5S2/c26-23-21-15-17(31(27,28)24-11-3-1-4-12-24)7-9-19(21)20-10-8-18(16-22(20)23)32(29,30)25-13-5-2-6-14-25/h7-10,15-16H,1-6,11-14H2
InChIKeySXPGHJYFEBJAMV-UHFFFAOYSA-N
XLogP3.25
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one?
The IUPAC name of 2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one (CID 981039) is 2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one.
What is the SMILES notation for 2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one?
The canonical SMILES for 2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one is O=C1c2cc(S(=O)(=O)N3CCCCC3)ccc2-c2ccc(S(=O)(=O)N3CCCCC3)cc21.
What is the InChIKey of 2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one?
The InChIKey is SXPGHJYFEBJAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S2/c26-23-21-15-17(31(27,28)24-11-3-1-4-12-24)7-9-19(21)20-10-8-18(16-22(20)23)32(29,30)25-13-5-2-6-14-25/h7-10,15-16H,1-6,11-14H2.
What are the key properties of 2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one?
2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one has a molecular weight of 474.60 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one is sourced from PubChem (CID 981039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).