[1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C19H21FN4O3S — CID 62707585

IUPAC[1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)c2cccc(F)c2)C1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H21FN4O3S/c20-16-2-1-3-18(12-16)28(26,27)24-13-15(14-24)19(25)23-10-8-22(9-11-23)17-4-6-21-7-5-17/h1-7,12,15H,8-11,13-14H2
InChIKeyAEFRRLXAXLOWAY-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.19
Rot. Bonds4

About [1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 62707585) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is [1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID62707585
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC Name[1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)c2cccc(F)c2)C1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H21FN4O3S/c20-16-2-1-3-18(12-16)28(26,27)24-13-15(14-24)19(25)23-10-8-22(9-11-23)17-4-6-21-7-5-17/h1-7,12,15H,8-11,13-14H2
InChIKeyAEFRRLXAXLOWAY-UHFFFAOYSA-N
XLogP1.19
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 62707585) is [1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is O=C(C1CN(S(=O)(=O)c2cccc(F)c2)C1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of [1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is AEFRRLXAXLOWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3S/c20-16-2-1-3-18(12-16)28(26,27)24-13-15(14-24)19(25)23-10-8-22(9-11-23)17-4-6-21-7-5-17/h1-7,12,15H,8-11,13-14H2.
What are the key properties of [1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 404.47 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 62707585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).