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

C21H27FN4O3S — CID 39983719

IUPAC1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H27FN4O3S/c1-23-10-4-7-18(23)19-8-5-11-25(19)16-21(27)24-12-14-26(15-13-24)30(28,29)20-9-3-2-6-17(20)22/h2-4,6-7,9-10,19H,5,8,11-16H2,1H3/t19-/m0/s1
InChIKeyZIELZIUISFWXSI-IBGZPJMESA-N
MW434.54 g/mol
LogP1.83
Rot. Bonds5

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

1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 39983719) has the molecular formula C21H27FN4O3S and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID39983719
Molecular FormulaC21H27FN4O3S
Molecular Weight434.54 g/mol
Exact Mass434.18
IUPAC Name1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H27FN4O3S/c1-23-10-4-7-18(23)19-8-5-11-25(19)16-21(27)24-12-14-26(15-13-24)30(28,29)20-9-3-2-6-17(20)22/h2-4,6-7,9-10,19H,5,8,11-16H2,1H3/t19-/m0/s1
InChIKeyZIELZIUISFWXSI-IBGZPJMESA-N
XLogP1.83
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 24819748
3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 9192798
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 55827655
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8690232
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8690224
cis-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230291
2-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 11931839
methyl 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylacetate
CID 18201955
2-(4-bromophenyl)sulfanyl-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4816176
(3aS,7aS)-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51655336
tert-butyl N-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]carbamate
CID 9046993
2-(2-ethoxyphenoxy)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4812335

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone (CID 39983719) is 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone is Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is ZIELZIUISFWXSI-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27FN4O3S/c1-23-10-4-7-18(23)19-8-5-11-25(19)16-21(27)24-12-14-26(15-13-24)30(28,29)20-9-3-2-6-17(20)22/h2-4,6-7,9-10,19H,5,8,11-16H2,1H3/t19-/m0/s1.
What are the key properties of 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone?
1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 434.54 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 39983719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).