2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one

C23H22F4N2O5S2 — CID 135154329

IUPAC2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one
SMILESO=C1c2cc(S(=O)(=O)N3CCCC(F)(F)C3)ccc2-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)cc21
InChIInChI=1S/C23H22F4N2O5S2/c24-22(25)7-1-9-28(13-22)35(31,32)15-3-5-17-18-6-4-16(12-20(18)21(30)19(17)11-15)36(33,34)29-10-2-8-23(26,27)14-29/h3-6,11-12H,1-2,7-10,13-14H2
InChIKeyCEZKFHLPUYBRGJ-UHFFFAOYSA-N
MW546.56 g/mol
LogP3.74
Rot. Bonds4

About 2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one

2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one (PubChem CID 135154329) has the molecular formula C23H22F4N2O5S2 and a molecular weight of 546.56 g/mol. Its IUPAC name is 2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one.

Molecular Properties

Compound Name2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one
PubChem CID135154329
Molecular FormulaC23H22F4N2O5S2
Molecular Weight546.56 g/mol
Exact Mass546.09
IUPAC Name2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one
SMILESO=C1c2cc(S(=O)(=O)N3CCCC(F)(F)C3)ccc2-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)cc21
InChIInChI=1S/C23H22F4N2O5S2/c24-22(25)7-1-9-28(13-22)35(31,32)15-3-5-17-18-6-4-16(12-20(18)21(30)19(17)11-15)36(33,34)29-10-2-8-23(26,27)14-29/h3-6,11-12H,1-2,7-10,13-14H2
InChIKeyCEZKFHLPUYBRGJ-UHFFFAOYSA-N
XLogP3.74
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.56
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-bis(azepan-1-ylsulfonyl)fluoren-9-one
CID 981056
2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one
CID 2802043
2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline
CID 138985743
2,7-bis(1,4-oxazepan-4-ylsulfonyl)anthracene-9,10-dione
CID 46851999
6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride
CID 143753648
4-(3,3-difluoropyrrolidin-1-yl)sulfonylbenzoic acid
CID 138453425
N-[2,7-bis(pyrrolidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine
CID 1137411
5-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2-methylphenyl]-3-(1,2,4-triazol-1-yl)pyrazin-2-amine
CID 126570050
5-piperidin-1-ylsulfonylspiro[1-benzothiophene-2,1'-cyclopropane]-3-one
CID 15575181
2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]anthracene-9,10-dione
CID 25123757
3,3-difluoro-1-methylsulfonylpiperidine
CID 164644528
1-[4-[6-(3,3-difluoropiperidin-1-yl)sulfonylindol-1-yl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 89204568

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one?
The IUPAC name of 2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one (CID 135154329) is 2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one.
What is the SMILES notation for 2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one?
The canonical SMILES for 2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one is O=C1c2cc(S(=O)(=O)N3CCCC(F)(F)C3)ccc2-c2ccc(S(=O)(=O)N3CCCC(F)(F)C3)cc21.
What is the InChIKey of 2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one?
The InChIKey is CEZKFHLPUYBRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N2O5S2/c24-22(25)7-1-9-28(13-22)35(31,32)15-3-5-17-18-6-4-16(12-20(18)21(30)19(17)11-15)36(33,34)29-10-2-8-23(26,27)14-29/h3-6,11-12H,1-2,7-10,13-14H2.
What are the key properties of 2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one?
2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one has a molecular weight of 546.56 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[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one is sourced from PubChem (CID 135154329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).