2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

C22H25ClFN3O3S — CID 55827655

IUPAC2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(CN1CCCC1c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25ClFN3O3S/c23-20-5-2-1-4-19(20)21-6-3-11-26(21)16-22(28)25-12-14-27(15-13-25)31(29,30)18-9-7-17(24)8-10-18/h1-2,4-5,7-10,21H,3,6,11-16H2
InChIKeySCDYTWIWGOWHJW-UHFFFAOYSA-N
MW465.98 g/mol
LogP3.15
Rot. Bonds5

About 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 55827655) has the molecular formula C22H25ClFN3O3S and a molecular weight of 465.98 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID55827655
Molecular FormulaC22H25ClFN3O3S
Molecular Weight465.98 g/mol
Exact Mass465.13
IUPAC Name2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(CN1CCCC1c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25ClFN3O3S/c23-20-5-2-1-4-19(20)21-6-3-11-26(21)16-22(28)25-12-14-27(15-13-25)31(29,30)18-9-7-17(24)8-10-18/h1-2,4-5,7-10,21H,3,6,11-16H2
InChIKeySCDYTWIWGOWHJW-UHFFFAOYSA-N
XLogP3.15
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-ethylpiperidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 25490815
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone;oxalic acid
CID 171154799
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 41292185
2-chloro-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 156906193
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)ethanone
CID 17495380
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422553
2-[2-(1,3-dithiolan-2-yl)phenoxy]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 24537450
1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2-phenylpyrrolidin-1-yl)ethanone
CID 55498364
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 26202246
2-(2,3-dichlorophenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 34194223
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 39983067
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119678798

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone (CID 55827655) is 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone is O=C(CN1CCCC1c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is SCDYTWIWGOWHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O3S/c23-20-5-2-1-4-19(20)21-6-3-11-26(21)16-22(28)25-12-14-27(15-13-25)31(29,30)18-9-7-17(24)8-10-18/h1-2,4-5,7-10,21H,3,6,11-16H2.
What are the key properties of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone?
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 465.98 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 55827655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).