2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone

C19H18FN3O3S — CID 146530247

IUPAC2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC2=C(C1)CN(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C19H18FN3O3S/c20-17-5-3-14(4-6-17)8-19(24)22-10-15-12-23(13-16(15)11-22)27(25,26)18-2-1-7-21-9-18/h1-7,9H,8,10-13H2
InChIKeyUZVRGMWWUDNMAJ-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.61
Rot. Bonds4

About 2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone

2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone (PubChem CID 146530247) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone
PubChem CID146530247
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC2=C(C1)CN(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C19H18FN3O3S/c20-17-5-3-14(4-6-17)8-19(24)22-10-15-12-23(13-16(15)11-22)27(25,26)18-2-1-7-21-9-18/h1-7,9H,8,10-13H2
InChIKeyUZVRGMWWUDNMAJ-UHFFFAOYSA-N
XLogP1.61
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-3-yl-1-(5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone
CID 146530438
(2S)-3-hydroxy-2-phenyl-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)propan-1-one
CID 138607545
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 26202246
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39947147
N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3242560
2-(4-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151003
1-piperazin-1-yl-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120982459
1-(4-fluorophenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 90521668
2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 55638612
N'-(4-fluorobenzoyl)-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30885794
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylethanone;oxalic acid
CID 171154799
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 9326847

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone (CID 146530247) is 2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone is O=C(Cc1ccc(F)cc1)N1CC2=C(C1)CN(S(=O)(=O)c1cccnc1)C2.
What is the InChIKey of 2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone?
The InChIKey is UZVRGMWWUDNMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-17-5-3-14(4-6-17)8-19(24)22-10-15-12-23(13-16(15)11-22)27(25,26)18-2-1-7-21-9-18/h1-7,9H,8,10-13H2.
What are the key properties of 2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone?
2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone has a molecular weight of 387.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(5-pyridin-3-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone is sourced from PubChem (CID 146530247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).