1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone

C14H14FN3O3S — CID 71809236

IUPAC1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H14FN3O3S/c15-11-2-4-12(5-3-11)22(20,21)13-8-17(9-13)14(19)10-18-7-1-6-16-18/h1-7,13H,8-10H2
InChIKeyXRTABFAUWAUUPO-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.71
Rot. Bonds4

About 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone

1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 71809236) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID71809236
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC Name1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H14FN3O3S/c15-11-2-4-12(5-3-11)22(20,21)13-8-17(9-13)14(19)10-18-7-1-6-16-18/h1-7,13H,8-10H2
InChIKeyXRTABFAUWAUUPO-UHFFFAOYSA-N
XLogP0.71
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone (CID 71809236) is 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is XRTABFAUWAUUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c15-11-2-4-12(5-3-11)22(20,21)13-8-17(9-13)14(19)10-18-7-1-6-16-18/h1-7,13H,8-10H2.
What are the key properties of 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone?
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 323.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 71809236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).