[4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

C18H19F2N3O3S — CID 34477179

IUPAC[4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H19F2N3O3S/c19-18(20)27(25,26)16-6-4-14(5-7-16)17(24)23-11-9-22(10-12-23)13-15-3-1-2-8-21-15/h1-8,18H,9-13H2
InChIKeySVSJCAVXNYKWLI-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.04
Rot. Bonds5

About [4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

[4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 34477179) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is [4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID34477179
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC Name[4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C18H19F2N3O3S/c19-18(20)27(25,26)16-6-4-14(5-7-16)17(24)23-11-9-22(10-12-23)13-15-3-1-2-8-21-15/h1-8,18H,9-13H2
InChIKeySVSJCAVXNYKWLI-UHFFFAOYSA-N
XLogP2.04
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

oxalic acid;(4-phenylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 17365950
[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 35901272
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-(4-pyrimidin-2-ylphenyl)methanone
CID 119066976
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
2-chloro-2-fluoro-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 166427945
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[4-(difluoromethylsulfonyl)phenyl]methanone
CID 27841360
[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 77092953
(4-benzylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
CID 55752420
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 90647769
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
4-propan-2-ylsulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858737
2-[4-[4-(difluoromethylsulfonyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55371884

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 34477179) is [4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(S(=O)(=O)C(F)F)cc1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of [4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is SVSJCAVXNYKWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c19-18(20)27(25,26)16-6-4-14(5-7-16)17(24)23-11-9-22(10-12-23)13-15-3-1-2-8-21-15/h1-8,18H,9-13H2.
What are the key properties of [4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
[4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 395.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethylsulfonyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 34477179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).