[(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone

C16H18FNO3S — CID 97417335

IUPAC[(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
SMILESO=C([C@H]1CC=CCC1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H18FNO3S/c17-13-6-8-14(9-7-13)22(20,21)15-10-18(11-15)16(19)12-4-2-1-3-5-12/h1-2,6-9,12,15H,3-5,10-11H2/t12-/m0/s1
InChIKeyUKNADMZHFFQADC-LBPRGKRZSA-N
MW323.39 g/mol
LogP2.17
Rot. Bonds3

About [(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone

[(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone (PubChem CID 97417335) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
PubChem CID97417335
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name[(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
SMILESO=C([C@H]1CC=CCC1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H18FNO3S/c17-13-6-8-14(9-7-13)22(20,21)15-10-18(11-15)16(19)12-4-2-1-3-5-12/h1-2,6-9,12,15H,3-5,10-11H2/t12-/m0/s1
InChIKeyUKNADMZHFFQADC-LBPRGKRZSA-N
XLogP2.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 99882951
[(1S)-cyclohex-3-en-1-yl]-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 97417332
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809175
2-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90593100
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908
[(1S)-cyclohex-3-en-1-yl]-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 96571910
[(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
CID 97427527
[(1R)-cyclohex-3-en-1-yl]-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 40818302
2,2,3,3,4,4,4-heptafluoro-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]butan-1-one
CID 90593088
2-ethyl-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]butan-1-one
CID 90593118
[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(1-methyl-1-nitrosothian-4-yl)methanone
CID 134374160
(3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 134374430

Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone (CID 97417335) is [(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone is O=C([C@H]1CC=CCC1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The InChIKey is UKNADMZHFFQADC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FNO3S/c17-13-6-8-14(9-7-13)22(20,21)15-10-18(11-15)16(19)12-4-2-1-3-5-12/h1-2,6-9,12,15H,3-5,10-11H2/t12-/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
[(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone has a molecular weight of 323.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone is sourced from PubChem (CID 97417335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).