[2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

C17H17F2N3O4S — CID 122243556

IUPAC[2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1S(=O)(=O)C(F)F)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C17H17F2N3O4S/c18-16(19)27(24,25)14-7-2-1-6-13(14)15(23)22-10-3-5-12(11-22)26-17-20-8-4-9-21-17/h1-2,4,6-9,12,16H,3,5,10-11H2
InChIKeyKGSKQROCCOLERL-UHFFFAOYSA-N
MW397.40 g/mol
LogP2.16
Rot. Bonds5

About [2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

[2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 122243556) has the molecular formula C17H17F2N3O4S and a molecular weight of 397.40 g/mol. Its IUPAC name is [2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID122243556
Molecular FormulaC17H17F2N3O4S
Molecular Weight397.40 g/mol
Exact Mass397.09
IUPAC Name[2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1S(=O)(=O)C(F)F)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C17H17F2N3O4S/c18-16(19)27(24,25)14-7-2-1-6-13(14)15(23)22-10-3-5-12(11-22)26-17-20-8-4-9-21-17/h1-2,4,6-9,12,16H,3,5,10-11H2
InChIKeyKGSKQROCCOLERL-UHFFFAOYSA-N
XLogP2.16
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267132
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257485
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
[2-(difluoromethylsulfonyl)phenyl]-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 119100478
(5-bromo-2-chlorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257281
(5-methyl-1-phenylpyrazol-4-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257217
methyl 4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)benzoate
CID 122160936
(1-oxidopyridin-1-ium-3-yl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257432
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257413

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of [2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 122243556) is [2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of [2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is KGSKQROCCOLERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O4S/c18-16(19)27(24,25)14-7-2-1-6-13(14)15(23)22-10-3-5-12(11-22)26-17-20-8-4-9-21-17/h1-2,4,6-9,12,16H,3,5,10-11H2.
What are the key properties of [2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
[2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 397.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethylsulfonyl)phenyl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122243556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).