5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine

C21H19N3O2S — CID 89122773

IUPAC5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine
SMILESCc1ccc(S(=O)(=O)N2CCc3nc(/C=C/c4ccccc4)cnc32)cc1
InChIInChI=1S/C21H19N3O2S/c1-16-7-11-19(12-8-16)27(25,26)24-14-13-20-21(24)22-15-18(23-20)10-9-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3/b10-9+
InChIKeyAMEKHTLTMJEPQP-MDZDMXLPSA-N
MW377.47 g/mol
LogP3.71
Rot. Bonds4

About 5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine

5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine (PubChem CID 89122773) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine
PubChem CID89122773
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine
SMILESCc1ccc(S(=O)(=O)N2CCc3nc(/C=C/c4ccccc4)cnc32)cc1
InChIInChI=1S/C21H19N3O2S/c1-16-7-11-19(12-8-16)27(25,26)24-14-13-20-21(24)22-15-18(23-20)10-9-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3/b10-9+
InChIKeyAMEKHTLTMJEPQP-MDZDMXLPSA-N
XLogP3.71
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine with MolForge

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Related Compounds

tert-butyl N-amino-N-[5-(4-methylphenyl)sulfonyl-6,7-dihydropyrrolo[2,3-b]pyrazin-2-yl]carbamate
CID 70944299
4-[1-(benzenesulfonyl)-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]but-3-en-2-one
CID 123305207
2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
CID 11472135
methyl 3-[1-(benzenesulfonyl)-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]prop-2-enoate
CID 123716885
3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 10956008
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine
CID 130249292
1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine
CID 67961663
4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one
CID 164898045
3-methylidene-1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylethenyl]-2,4-dihydropyridine
CID 132937595
(NE)-N-[2-benzhydrylidene-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]hydroxylamine
CID 139095900
1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 34885089

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine?
The IUPAC name of 5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine (CID 89122773) is 5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine?
The canonical SMILES for 5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine is Cc1ccc(S(=O)(=O)N2CCc3nc(/C=C/c4ccccc4)cnc32)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine?
The InChIKey is AMEKHTLTMJEPQP-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-16-7-11-19(12-8-16)27(25,26)24-14-13-20-21(24)22-15-18(23-20)10-9-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3/b10-9+.
What are the key properties of 5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine?
5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine has a molecular weight of 377.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-6,7-dihydropyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 89122773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).