1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

C21H24FN3O3S — CID 53083134

IUPAC1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2)CCN1C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24FN3O3S/c22-18-8-6-17(7-9-18)16-23-14-15-25(21(23)26)19-10-12-24(13-11-19)29(27,28)20-4-2-1-3-5-20/h1-9,19H,10-16H2
InChIKeyACMLPKIYZQWTAT-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.92
Rot. Bonds5

About 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one (PubChem CID 53083134) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
PubChem CID53083134
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2)CCN1C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24FN3O3S/c22-18-8-6-17(7-9-18)16-23-14-15-25(21(23)26)19-10-12-24(13-11-19)29(27,28)20-4-2-1-3-5-20/h1-9,19H,10-16H2
InChIKeyACMLPKIYZQWTAT-UHFFFAOYSA-N
XLogP2.92
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
CID 53083148
1-[(4-fluorophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazolidin-2-one
CID 53083145
1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
CID 53083205
1-[(4-fluorophenyl)methyl]-4-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53023714
1-[1-(2,1,3-benzothiadiazol-5-ylsulfonyl)piperidin-4-yl]-3-benzylimidazolidin-2-one
CID 176770004
1-benzyl-3-[1-(4-fluorobenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 50789317
1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(4-methylphenyl)methyl]imidazolidin-2-one
CID 53083165
1-benzyl-4-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53084948
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-[(3-fluorophenyl)methyl]-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53004248
N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098489

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one (CID 53083134) is 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one is O=C1N(Cc2ccc(F)cc2)CCN1C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The InChIKey is ACMLPKIYZQWTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c22-18-8-6-17(7-9-18)16-23-14-15-25(21(23)26)19-10-12-24(13-11-19)29(27,28)20-4-2-1-3-5-20/h1-9,19H,10-16H2.
What are the key properties of 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one has a molecular weight of 417.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 53083134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).