2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one

C21H22N2O7S2 — CID 1241351

IUPAC2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one
SMILESO=C1c2cc(S(=O)(=O)N3CCOCC3)ccc2-c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C21H22N2O7S2/c24-21-19-13-15(31(25,26)22-5-9-29-10-6-22)1-3-17(19)18-4-2-16(14-20(18)21)32(27,28)23-7-11-30-12-8-23/h1-4,13-14H,5-12H2
InChIKeyYPBUIEBMFJARDH-UHFFFAOYSA-N
MW478.55 g/mol
LogP0.94
Rot. Bonds4

About 2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one

2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one (PubChem CID 1241351) has the molecular formula C21H22N2O7S2 and a molecular weight of 478.55 g/mol. Its IUPAC name is 2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one.

Molecular Properties

Compound Name2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one
PubChem CID1241351
Molecular FormulaC21H22N2O7S2
Molecular Weight478.55 g/mol
Exact Mass478.09
IUPAC Name2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one
SMILESO=C1c2cc(S(=O)(=O)N3CCOCC3)ccc2-c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C21H22N2O7S2/c24-21-19-13-15(31(25,26)22-5-9-29-10-6-22)1-3-17(19)18-4-2-16(14-20(18)21)32(27,28)23-7-11-30-12-8-23/h1-4,13-14H,5-12H2
InChIKeyYPBUIEBMFJARDH-UHFFFAOYSA-N
XLogP0.94
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one?
The IUPAC name of 2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one (CID 1241351) is 2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one.
What is the SMILES notation for 2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one?
The canonical SMILES for 2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one is O=C1c2cc(S(=O)(=O)N3CCOCC3)ccc2-c2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one?
The InChIKey is YPBUIEBMFJARDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O7S2/c24-21-19-13-15(31(25,26)22-5-9-29-10-6-22)1-3-17(19)18-4-2-16(14-20(18)21)32(27,28)23-7-11-30-12-8-23/h1-4,13-14H,5-12H2.
What are the key properties of 2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one?
2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one has a molecular weight of 478.55 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(morpholin-4-ylsulfonyl)fluoren-9-one is sourced from PubChem (CID 1241351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).