[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone

C21H23FN2O3S — CID 22429114

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1
InChIInChI=1S/C21H23FN2O3S/c1-16-6-8-17(9-7-16)28(26,27)21(10-11-21)20(25)24-14-12-23(13-15-24)19-5-3-2-4-18(19)22/h2-9H,10-15H2,1H3
InChIKeyPREWUAKZPDMIEV-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.79
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone (PubChem CID 22429114) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
PubChem CID22429114
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone
SMILESCc1ccc(S(=O)(=O)C2(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1
InChIInChI=1S/C21H23FN2O3S/c1-16-6-8-17(9-7-16)28(26,27)21(10-11-21)20(25)24-14-12-23(13-15-24)19-5-3-2-4-18(19)22/h2-9H,10-15H2,1H3
InChIKeyPREWUAKZPDMIEV-UHFFFAOYSA-N
XLogP2.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[4-(2-Fluorophenyl)piperazin-1-yl]{1-[(4-methylphenyl)sulfonyl]piperidin-2-yl}methanone
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1-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3-phenyl-1,5-dihydro-pyrrol-2-one
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1-(2-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3-phenyl-1,5-dihydro-pyrrol-2-one
CID 10319221
3-(4-Fluorophenyl)-2-(4-(methylsulfonyl)phenyl)thiazolidin-4-one
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CID 15049712
3-(3,4-Difluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-1-phenyl-1,5-dihydro-pyrrol-2-one
CID 44293785
3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-1-phenyl-1,5-dihydro-pyrrol-2-one
CID 44293798
3-(4-Fluoro-phenyl)-1-(2-fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-1,5-dihydro-pyrrol-2-one
CID 44294003
N,N-Diethyl-2-[(3-fluoro-benzenesulfonyl)-p-tolyl-amino]-acetamide
CID 44580809
N-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenyl]methyl]-N-cyclobutyl-4-fluorobenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone (CID 22429114) is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone is Cc1ccc(S(=O)(=O)C2(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
The InChIKey is PREWUAKZPDMIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c1-16-6-8-17(9-7-16)28(26,27)21(10-11-21)20(25)24-14-12-23(13-15-24)19-5-3-2-4-18(19)22/h2-9H,10-15H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone has a molecular weight of 402.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylcyclopropyl]methanone is sourced from PubChem (CID 22429114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).