[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

C19H16FN3O3S — CID 71809234

IUPAC[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H16FN3O3S/c20-14-6-8-15(9-7-14)27(25,26)16-11-23(12-16)19(24)18-10-17(21-22-18)13-4-2-1-3-5-13/h1-10,16H,11-12H2,(H,21,22)
InChIKeyZFTFNAFQIMRZSP-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.51
Rot. Bonds4

About [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 71809234) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID71809234
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H16FN3O3S/c20-14-6-8-15(9-7-14)27(25,26)16-11-23(12-16)19(24)18-10-17(21-22-18)13-4-2-1-3-5-13/h1-10,16H,11-12H2,(H,21,22)
InChIKeyZFTFNAFQIMRZSP-UHFFFAOYSA-N
XLogP2.51
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 71809234) is [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is ZFTFNAFQIMRZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c20-14-6-8-15(9-7-14)27(25,26)16-11-23(12-16)19(24)18-10-17(21-22-18)13-4-2-1-3-5-13/h1-10,16H,11-12H2,(H,21,22).
What are the key properties of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 385.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 71809234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).