[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone

C24H24FN3O3S — CID 27019983

IUPAC[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone
SMILESO=C(c1c2c(nc3ccccc13)CCCC2)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H24FN3O3S/c25-19-9-3-6-12-22(19)32(30,31)28-15-13-27(14-16-28)24(29)23-17-7-1-4-10-20(17)26-21-11-5-2-8-18(21)23/h1,3-4,6-7,9-10,12H,2,5,8,11,13-16H2
InChIKeyWULACVLBCGEPTE-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.40
Rot. Bonds3

About [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone (PubChem CID 27019983) has the molecular formula C24H24FN3O3S and a molecular weight of 453.54 g/mol. Its IUPAC name is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone
PubChem CID27019983
Molecular FormulaC24H24FN3O3S
Molecular Weight453.54 g/mol
Exact Mass453.15
IUPAC Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone
SMILESO=C(c1c2c(nc3ccccc13)CCCC2)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H24FN3O3S/c25-19-9-3-6-12-22(19)32(30,31)28-15-13-27(14-16-28)24(29)23-17-7-1-4-10-20(17)26-21-11-5-2-8-18(21)23/h1,3-4,6-7,9-10,12H,2,5,8,11,13-16H2
InChIKeyWULACVLBCGEPTE-UHFFFAOYSA-N
XLogP3.40
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 23499
2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonyl)piperazin-1-yl]acetic acid
CID 21203408
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 4807266
(2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4843684
(4-methylsulfonylpiperazin-1-yl)-(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 134025112
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 4807276
[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 39714960
2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55735652
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 27163251
(2-chloro-4-pyridinyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 38120168
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46815982

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone (CID 27019983) is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone is O=C(c1c2c(nc3ccccc13)CCCC2)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone?
The InChIKey is WULACVLBCGEPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3S/c25-19-9-3-6-12-22(19)32(30,31)28-15-13-27(14-16-28)24(29)23-17-7-1-4-10-20(17)26-21-11-5-2-8-18(21)23/h1,3-4,6-7,9-10,12H,2,5,8,11,13-16H2.
What are the key properties of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone?
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone has a molecular weight of 453.54 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydroacridin-9-yl)methanone is sourced from PubChem (CID 27019983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).