1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one

C15H19F2N3O3S — CID 133314231

IUPAC1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1
InChIInChI=1S/C15H19F2N3O3S/c16-14(17)24(22,23)13-5-3-11(4-6-13)19-8-1-2-12(10-19)20-9-7-18-15(20)21/h3-6,12,14H,1-2,7-10H2,(H,18,21)
InChIKeyOCRGFRYMNATOJG-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.68
Rot. Bonds4

About 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one

1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 133314231) has the molecular formula C15H19F2N3O3S and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID133314231
Molecular FormulaC15H19F2N3O3S
Molecular Weight359.40 g/mol
Exact Mass359.11
IUPAC Name1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1
InChIInChI=1S/C15H19F2N3O3S/c16-14(17)24(22,23)13-5-3-11(4-6-13)19-8-1-2-12(10-19)20-9-7-18-15(20)21/h3-6,12,14H,1-2,7-10H2,(H,18,21)
InChIKeyOCRGFRYMNATOJG-UHFFFAOYSA-N
XLogP1.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one (CID 133314231) is 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one is O=C1NCCN1C1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2)C1.
What is the InChIKey of 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is OCRGFRYMNATOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O3S/c16-14(17)24(22,23)13-5-3-11(4-6-13)19-8-1-2-12(10-19)20-9-7-18-15(20)21/h3-6,12,14H,1-2,7-10H2,(H,18,21).
What are the key properties of 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one?
1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 359.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 133314231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).