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

C18H22FNO3S — CID 73168095

IUPACcyclohex-3-en-1-yl-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H22FNO3S/c19-15-8-10-16(11-9-15)24(22,23)17-7-4-12-20(13-17)18(21)14-5-2-1-3-6-14/h1-2,8-11,14,17H,3-7,12-13H2
InChIKeyOJWTZSZIDHNDPY-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.95
Rot. Bonds3

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

cyclohex-3-en-1-yl-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone (PubChem CID 73168095) has the molecular formula C18H22FNO3S and a molecular weight of 351.44 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
PubChem CID73168095
Molecular FormulaC18H22FNO3S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC Namecyclohex-3-en-1-yl-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
SMILESO=C(C1CC=CCC1)N1CCCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H22FNO3S/c19-15-8-10-16(11-9-15)24(22,23)17-7-4-12-20(13-17)18(21)14-5-2-1-3-6-14/h1-2,8-11,14,17H,3-7,12-13H2
InChIKeyOJWTZSZIDHNDPY-UHFFFAOYSA-N
XLogP2.95
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of cyclohex-3-en-1-yl-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone (CID 73168095) is cyclohex-3-en-1-yl-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for cyclohex-3-en-1-yl-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone is O=C(C1CC=CCC1)N1CCCC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of cyclohex-3-en-1-yl-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is OJWTZSZIDHNDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3S/c19-15-8-10-16(11-9-15)24(22,23)17-7-4-12-20(13-17)18(21)14-5-2-1-3-6-14/h1-2,8-11,14,17H,3-7,12-13H2.
What are the key properties of cyclohex-3-en-1-yl-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
cyclohex-3-en-1-yl-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 351.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-[3-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 73168095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).