N-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide

C19H19FN4O3S — CID 152795036

IUPACN-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
SMILESO=C(NCc1ccccc1F)N1CC2=C(C1)CN(S(=O)(=O)c1ccccn1)C2
InChIInChI=1S/C19H19FN4O3S/c20-17-6-2-1-5-14(17)9-22-19(25)23-10-15-12-24(13-16(15)11-23)28(26,27)18-7-3-4-8-21-18/h1-8H,9-13H2,(H,22,25)
InChIKeySLDMKGAYSUFLIB-UHFFFAOYSA-N
MW402.45 g/mol
LogP1.75
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide

N-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide (PubChem CID 152795036) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
PubChem CID152795036
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC NameN-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
SMILESO=C(NCc1ccccc1F)N1CC2=C(C1)CN(S(=O)(=O)c1ccccn1)C2
InChIInChI=1S/C19H19FN4O3S/c20-17-6-2-1-5-14(17)9-22-19(25)23-10-15-12-24(13-16(15)11-23)28(26,27)18-7-3-4-8-21-18/h1-8H,9-13H2,(H,22,25)
InChIKeySLDMKGAYSUFLIB-UHFFFAOYSA-N
XLogP1.75
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1,3-benzothiazol-6-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
CID 146530108
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238
2-pyridin-3-yl-1-(5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl)ethanone
CID 146530438
5-(4-fluorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
CID 146530065
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-[(2-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 27535125
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
N-[(2-fluorophenyl)methyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108531549
5-(2,1,3-benzothiadiazol-5-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide
CID 146530023
1-[(2-fluorophenyl)methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719531
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 38947749

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide (CID 152795036) is N-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide is O=C(NCc1ccccc1F)N1CC2=C(C1)CN(S(=O)(=O)c1ccccn1)C2.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide?
The InChIKey is SLDMKGAYSUFLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c20-17-6-2-1-5-14(17)9-22-19(25)23-10-15-12-24(13-16(15)11-23)28(26,27)18-7-3-4-8-21-18/h1-8H,9-13H2,(H,22,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide?
N-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-pyridin-2-ylsulfonyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carboxamide is sourced from PubChem (CID 152795036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).