[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone

C20H18FN3O3S — CID 71809233

IUPAC[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H18FN3O3S/c1-23-19(11-18(22-23)14-5-3-2-4-6-14)20(25)24-12-17(13-24)28(26,27)16-9-7-15(21)8-10-16/h2-11,17H,12-13H2,1H3
InChIKeyWOVLKVURQRFWMM-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.52
Rot. Bonds4

About [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone

[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone (PubChem CID 71809233) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
PubChem CID71809233
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H18FN3O3S/c1-23-19(11-18(22-23)14-5-3-2-4-6-14)20(25)24-12-17(13-24)28(26,27)16-9-7-15(21)8-10-16/h2-11,17H,12-13H2,1H3
InChIKeyWOVLKVURQRFWMM-UHFFFAOYSA-N
XLogP2.52
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
4-[5-(4-Fluorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155517041
2-[4-[(1R)-1-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]ethyl]phenyl]sulfonylacetic acid
CID 155526686
4-[3-(Thiomorpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
CID 155528880
4-[5-(4-Methylphenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155539820
4-[5-(3-Fluorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155545220
4-[5-Phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155557877
3-{[4-(2-fluorophenyl)piperazino]carbonyl}-1-methyl-1,4-dihydro-5H-5lambda~6~-thiochromeno[4,3-c]pyrazole-5,5-dione
CID 16017736
(1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl)-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
CID 16017762
(1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl)-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 16017784
(1,3-Diphenylpyrazol-5-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 16550725
N-(4-Fluorophenyl)-N,1-dimethyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 22517156

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone (CID 71809233) is [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone is Cn1nc(-c2ccccc2)cc1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
The InChIKey is WOVLKVURQRFWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-23-19(11-18(22-23)14-5-3-2-4-6-14)20(25)24-12-17(13-24)28(26,27)16-9-7-15(21)8-10-16/h2-11,17H,12-13H2,1H3.
What are the key properties of [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone has a molecular weight of 399.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone is sourced from PubChem (CID 71809233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).