[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone

C16H12F3NO3S — CID 166334946

IUPAC[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CN(S(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C16H12F3NO3S/c17-12-6-4-10(5-7-12)15(21)11-8-20(9-11)24(22,23)16-13(18)2-1-3-14(16)19/h1-7,11H,8-9H2
InChIKeyOPFOBLRDHZUUGS-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.61
Rot. Bonds4

About [1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone

[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 166334946) has the molecular formula C16H12F3NO3S and a molecular weight of 355.34 g/mol. Its IUPAC name is [1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone
PubChem CID166334946
Molecular FormulaC16H12F3NO3S
Molecular Weight355.34 g/mol
Exact Mass355.05
IUPAC Name[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CN(S(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C16H12F3NO3S/c17-12-6-4-10(5-7-12)15(21)11-8-20(9-11)24(22,23)16-13(18)2-1-3-14(16)19/h1-7,11H,8-9H2
InChIKeyOPFOBLRDHZUUGS-UHFFFAOYSA-N
XLogP2.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105581
1-[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 121154153
1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 62917651
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 33039644
(1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone
CID 110394840
ethyl (3R)-1-(2,6-difluorophenyl)sulfonylpiperidine-3-carboxylate
CID 92977544
(3aS,6aR)-5-(2-fluoro-6-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120714096
1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 3698955
1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981797
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]prop-2-yn-1-one
CID 154704989
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
1-[2-fluoro-6-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 122068414

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone (CID 166334946) is [1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CN(S(=O)(=O)c2c(F)cccc2F)C1.
What is the InChIKey of [1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is OPFOBLRDHZUUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO3S/c17-12-6-4-10(5-7-12)15(21)11-8-20(9-11)24(22,23)16-13(18)2-1-3-14(16)19/h1-7,11H,8-9H2.
What are the key properties of [1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone?
[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 355.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 166334946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).