F1345-0003

C23H26N2O5S2 — CID 981039

IUPAC2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one
SMILESC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)S(=O)(=O)N5CCCCC5
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
LogP3.20
Rot. Bonds4

About F1345-0003

F1345-0003 (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 NameF1345-0003
PubChem CID981039
Molecular FormulaC23H26N2O5S2
Molecular Weight474.60 g/mol
Exact Mass474.13
IUPAC Name2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one
SMILESC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)S(=O)(=O)N5CCCCC5
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
XLogP3.20
TPSA109.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity837

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of F1345-0003?
The IUPAC name of F1345-0003 (CID 981039) is 2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-one.
What is the SMILES notation for F1345-0003?
The canonical SMILES for F1345-0003 is C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)S(=O)(=O)N5CCCCC5.
What is the InChIKey of F1345-0003?
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 F1345-0003?
F1345-0003 has a molecular weight of 474.60 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for F1345-0003 is sourced from PubChem (CID 981039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).