3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione

C14H15F2N3O4S — CID 121160518

IUPAC3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H15F2N3O4S/c15-9-1-2-11(16)12(7-9)24(22,23)18-5-3-10(4-6-18)19-13(20)8-17-14(19)21/h1-2,7,10H,3-6,8H2,(H,17,21)
InChIKeyVMVPYXKEZSIERJ-UHFFFAOYSA-N
MW359.35 g/mol
LogP0.67
Rot. Bonds3

About 3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione

3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160518) has the molecular formula C14H15F2N3O4S and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160518
Molecular FormulaC14H15F2N3O4S
Molecular Weight359.35 g/mol
Exact Mass359.08
IUPAC Name3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H15F2N3O4S/c15-9-1-2-11(16)12(7-9)24(22,23)18-5-3-10(4-6-18)19-13(20)8-17-14(19)21/h1-2,7,10H,3-6,8H2,(H,17,21)
InChIKeyVMVPYXKEZSIERJ-UHFFFAOYSA-N
XLogP0.67
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121160578
3-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160525
[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030656
3-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160129
3-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160081
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160541
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 38257109
4-(2-bromoethoxy)-1-(2,5-difluorophenyl)sulfonylpiperidine
CID 82687785
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160074
3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160117
ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 78797808

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione (CID 121160518) is 3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione is O=C1CNC(=O)N1C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is VMVPYXKEZSIERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O4S/c15-9-1-2-11(16)12(7-9)24(22,23)18-5-3-10(4-6-18)19-13(20)8-17-14(19)21/h1-2,7,10H,3-6,8H2,(H,17,21).
What are the key properties of 3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 359.35 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).