3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione

C21H23FN4O4S — CID 46697324

IUPAC3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione
SMILESCC1C(=O)N(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H23FN4O4S/c1-16-20(27)25(21(28)26(16)18-7-3-2-4-8-18)15-23-10-12-24(13-11-23)31(29,30)19-9-5-6-17(22)14-19/h2-9,14,16H,10-13,15H2,1H3
InChIKeyCILKRBJZGGZKFV-UHFFFAOYSA-N
MW446.50 g/mol
LogP1.95
Rot. Bonds5

About 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione

3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione (PubChem CID 46697324) has the molecular formula C21H23FN4O4S and a molecular weight of 446.50 g/mol. Its IUPAC name is 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione
PubChem CID46697324
Molecular FormulaC21H23FN4O4S
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC Name3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione
SMILESCC1C(=O)N(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H23FN4O4S/c1-16-20(27)25(21(28)26(16)18-7-3-2-4-8-18)15-23-10-12-24(13-11-23)31(29,30)19-9-5-6-17(22)14-19/h2-9,14,16H,10-13,15H2,1H3
InChIKeyCILKRBJZGGZKFV-UHFFFAOYSA-N
XLogP1.95
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(3aS,7aR)-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7911427
1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one
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(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8966684
(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248169
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride
CID 163331829
3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
CID 18133827
N-cyclopropyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27664766
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 46633054
3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8966713
1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine
CID 6734618

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione (CID 46697324) is 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione is CC1C(=O)N(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione?
The InChIKey is CILKRBJZGGZKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4S/c1-16-20(27)25(21(28)26(16)18-7-3-2-4-8-18)15-23-10-12-24(13-11-23)31(29,30)19-9-5-6-17(22)14-19/h2-9,14,16H,10-13,15H2,1H3.
What are the key properties of 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione?
3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione has a molecular weight of 446.50 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 46697324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).