5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one

C44H35F3N2O4S — CID 146643594

IUPAC5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one
SMILESO=C(Cn1cc(S(=O)(=O)N2CCC(c3ccc(-c4ccc5c(c4)Cc4ccccc4-5)cc3)CC2)ccc1=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C44H35F3N2O4S/c45-44(46,47)38-6-3-5-34(26-38)30-12-14-33(15-13-30)42(50)28-48-27-39(17-19-43(48)51)54(52,53)49-22-20-32(21-23-49)29-8-10-31(11-9-29)35-16-18-41-37(24-35)25-36-4-1-2-7-40(36)41/h1-19,24,26-27,32H,20-23,25,28H2
InChIKeyRVQLHAGSBGOUPJ-UHFFFAOYSA-N
MW744.84 g/mol
LogP9.22
Rot. Bonds8

About 5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one

5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one (PubChem CID 146643594) has the molecular formula C44H35F3N2O4S and a molecular weight of 744.84 g/mol. Its IUPAC name is 5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one
PubChem CID146643594
Molecular FormulaC44H35F3N2O4S
Molecular Weight744.84 g/mol
Exact Mass744.23
IUPAC Name5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one
SMILESO=C(Cn1cc(S(=O)(=O)N2CCC(c3ccc(-c4ccc5c(c4)Cc4ccccc4-5)cc3)CC2)ccc1=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C44H35F3N2O4S/c45-44(46,47)38-6-3-5-34(26-38)30-12-14-33(15-13-30)42(50)28-48-27-39(17-19-43(48)51)54(52,53)49-22-20-32(21-23-49)29-8-10-31(11-9-29)35-16-18-41-37(24-35)25-36-4-1-2-7-40(36)41/h1-19,24,26-27,32H,20-23,25,28H2
InChIKeyRVQLHAGSBGOUPJ-UHFFFAOYSA-N
XLogP9.22
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.84
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonyl-3-pyridinyl]isoindole-1,3-dione
CID 146642921
N,N-diethyl-6-oxo-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridine-3-sulfonamide
CID 122508188
3-methyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 166950322
1-[2-[4-(3-ethenylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 146642613
1-[2-[3-(4-naphthalen-2-ylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 122508160
2-[2-(1,3-oxazol-2-yl)-4-pyrrolidin-1-ylsulfonylpyrrol-1-yl]-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone
CID 146642934
1-[2-[4-(2,6-dimethylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 122508180
1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 146402867
1-[2-(4-methylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 30343739
5-bromo-1-[2-(9H-fluoren-3-yl)-2-oxoethyl]pyridin-2-one
CID 8893776
5-pyrrolidin-1-ylsulfonyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
CID 30175663
4-[2-[[(2S)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonyl-2,3-dihydroindole-2-carbonyl]amino]ethyl]benzoic acid
CID 69213495

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one?
The IUPAC name of 5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one (CID 146643594) is 5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one.
What is the SMILES notation for 5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one?
The canonical SMILES for 5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one is O=C(Cn1cc(S(=O)(=O)N2CCC(c3ccc(-c4ccc5c(c4)Cc4ccccc4-5)cc3)CC2)ccc1=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one?
The InChIKey is RVQLHAGSBGOUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35F3N2O4S/c45-44(46,47)38-6-3-5-34(26-38)30-12-14-33(15-13-30)42(50)28-48-27-39(17-19-43(48)51)54(52,53)49-22-20-32(21-23-49)29-8-10-31(11-9-29)35-16-18-41-37(24-35)25-36-4-1-2-7-40(36)41/h1-19,24,26-27,32H,20-23,25,28H2.
What are the key properties of 5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one?
5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one has a molecular weight of 744.84 g/mol, XLogP of 9.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(9H-fluoren-2-yl)phenyl]piperidin-1-yl]sulfonyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]pyridin-2-one is sourced from PubChem (CID 146643594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).