2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine

C15H14N6O2S — CID 58010150

IUPAC2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
SMILESCc1ccc(S(=O)(=O)n2ccc3nc(C(C)N=[N+]=[N-])cnc32)cc1
InChIInChI=1S/C15H14N6O2S/c1-10-3-5-12(6-4-10)24(22,23)21-8-7-13-15(21)17-9-14(18-13)11(2)19-20-16/h3-9,11H,1-2H3
InChIKeyGRGNIHQWTYRQGT-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.35
Rot. Bonds4

About 2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine

2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine (PubChem CID 58010150) has the molecular formula C15H14N6O2S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
PubChem CID58010150
Molecular FormulaC15H14N6O2S
Molecular Weight342.38 g/mol
Exact Mass342.09
IUPAC Name2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
SMILESCc1ccc(S(=O)(=O)n2ccc3nc(C(C)N=[N+]=[N-])cnc32)cc1
InChIInChI=1S/C15H14N6O2S/c1-10-3-5-12(6-4-10)24(22,23)21-8-7-13-15(21)17-9-14(18-13)11(2)19-20-16/h3-9,11H,1-2H3
InChIKeyGRGNIHQWTYRQGT-UHFFFAOYSA-N
XLogP3.35
TPSA113.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]but-3-en-1-amine
CID 58557193
[2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid
CID 67216596
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile
CID 58382109
methyl-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]methyl]diazene
CID 143912182
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide
CID 174659530
2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;methyl 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carboxylate
CID 162025946
5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 151827977
tert-butyl N-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]carbamate
CID 58009926
1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 69081244
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
CID 67078609
benzyl (3R,4S)-3-[4-ethoxy-3-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-4-oxobutanoyl]-4-ethylpyrrolidine-1-carboxylate
CID 135302263
5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 137352450

Frequently Asked Questions

What is the IUPAC name of 2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine (CID 58010150) is 2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine is Cc1ccc(S(=O)(=O)n2ccc3nc(C(C)N=[N+]=[N-])cnc32)cc1.
What is the InChIKey of 2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine?
The InChIKey is GRGNIHQWTYRQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S/c1-10-3-5-12(6-4-10)24(22,23)21-8-7-13-15(21)17-9-14(18-13)11(2)19-20-16/h3-9,11H,1-2H3.
What are the key properties of 2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine?
2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine has a molecular weight of 342.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 58010150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).