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

C21H22N2O5S2 — CID 979406

IUPAC2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one
SMILESO=C1c2cc(S(=O)(=O)N3CCCC3)ccc2-c2ccc(S(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C21H22N2O5S2/c24-21-19-13-15(29(25,26)22-9-1-2-10-22)5-7-17(19)18-8-6-16(14-20(18)21)30(27,28)23-11-3-4-12-23/h5-8,13-14H,1-4,9-12H2
InChIKeyJHPHGYFNEYWXJU-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.47
Rot. Bonds4

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

2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one (PubChem CID 979406) has the molecular formula C21H22N2O5S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one.

Molecular Properties

Compound Name2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one
PubChem CID979406
Molecular FormulaC21H22N2O5S2
Molecular Weight446.55 g/mol
Exact Mass446.10
IUPAC Name2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one
SMILESO=C1c2cc(S(=O)(=O)N3CCCC3)ccc2-c2ccc(S(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C21H22N2O5S2/c24-21-19-13-15(29(25,26)22-9-1-2-10-22)5-7-17(19)18-8-6-16(14-20(18)21)30(27,28)23-11-3-4-12-23/h5-8,13-14H,1-4,9-12H2
InChIKeyJHPHGYFNEYWXJU-UHFFFAOYSA-N
XLogP2.47
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Bis[3-(pyrrolidin-1-ylsulfonyl)phenyl]methanone
CID 1205752
3-benzyl-6-(4-methylpiperidin-1-yl)sulfonyl-3H-indene-1,2-dione
CID 154732725
2,7-Bis{[(2-hydroxyethyl)methylamino]sulfonyl}fluoren-9-one
CID 991359
4-[[(7-{[(3-carboxypropyl)(methyl)amino]sulfonyl}-9-oxo-9H-fluoren-2-yl)sulfonyl](methyl)amino]butanoic acid
CID 1722886
N,N,N',N'-tetrakis(2-hydroxyethyl)-9-oxo-9H-fluorene-2,7-disulfonamide
CID 1911857
2,7-Bis[(4-methylpiperidyl)sulfonyl]fluoren-9-one
CID 991357
N2,N7-Bis(3-methylbutyl)-9-oxo-9H-fluorene-2,7-disulfonamide
CID 1101526
F1345-0003
CID 981039
9-Oxo-9H-fluorene-2,7-disulfonamide
CID 1797571
2,7-Bis{[(methylpropyl)amino]sulfonyl}fluoren-9-one
CID 3130332
N2,N2,N7,N7-tetraethyl-9-oxo-9H-fluorene-2,7-disulfonamide
CID 1099227
N2,N7-Diethyl-9-oxo-9H-fluorene-2,7-disulfonamide
CID 1102992

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one?
The IUPAC name of 2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one (CID 979406) is 2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one.
What is the SMILES notation for 2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one?
The canonical SMILES for 2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one is O=C1c2cc(S(=O)(=O)N3CCCC3)ccc2-c2ccc(S(=O)(=O)N3CCCC3)cc21.
What is the InChIKey of 2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one?
The InChIKey is JHPHGYFNEYWXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S2/c24-21-19-13-15(29(25,26)22-9-1-2-10-22)5-7-17(19)18-8-6-16(14-20(18)21)30(27,28)23-11-3-4-12-23/h5-8,13-14H,1-4,9-12H2.
What are the key properties of 2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one?
2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one has a molecular weight of 446.55 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-one is sourced from PubChem (CID 979406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).