2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one

C25H30N2O5S2 — CID 991357

IUPAC2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4CCC(C)CC4)ccc2-3)CC1
InChIInChI=1S/C25H30N2O5S2/c1-17-7-11-26(12-8-17)33(29,30)19-3-5-21-22-6-4-20(16-24(22)25(28)23(21)15-19)34(31,32)27-13-9-18(2)10-14-27/h3-6,15-18H,7-14H2,1-2H3
InChIKeyFKQXGAXBQYVZAO-UHFFFAOYSA-N
MW502.66 g/mol
LogP3.74
Rot. Bonds4

About 2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one

2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one (PubChem CID 991357) has the molecular formula C25H30N2O5S2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one
PubChem CID991357
Molecular FormulaC25H30N2O5S2
Molecular Weight502.66 g/mol
Exact Mass502.16
IUPAC Name2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4CCC(C)CC4)ccc2-3)CC1
InChIInChI=1S/C25H30N2O5S2/c1-17-7-11-26(12-8-17)33(29,30)19-3-5-21-22-6-4-20(16-24(22)25(28)23(21)15-19)34(31,32)27-13-9-18(2)10-14-27/h3-6,15-18H,7-14H2,1-2H3
InChIKeyFKQXGAXBQYVZAO-UHFFFAOYSA-N
XLogP3.74
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.66
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one?
The IUPAC name of 2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one (CID 991357) is 2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one.
What is the SMILES notation for 2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one?
The canonical SMILES for 2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one is CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)c2cc(S(=O)(=O)N4CCC(C)CC4)ccc2-3)CC1.
What is the InChIKey of 2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one?
The InChIKey is FKQXGAXBQYVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5S2/c1-17-7-11-26(12-8-17)33(29,30)19-3-5-21-22-6-4-20(16-24(22)25(28)23(21)15-19)34(31,32)27-13-9-18(2)10-14-27/h3-6,15-18H,7-14H2,1-2H3.
What are the key properties of 2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one?
2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one has a molecular weight of 502.66 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]fluoren-9-one is sourced from PubChem (CID 991357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).