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

C14H10N4O2S — CID 58382109

IUPAC5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile
SMILESCc1ccc(S(=O)(=O)n2ccc3nc(C#N)cnc32)cc1
InChIInChI=1S/C14H10N4O2S/c1-10-2-4-12(5-3-10)21(19,20)18-7-6-13-14(18)16-9-11(8-15)17-13/h2-7,9H,1H3
InChIKeyWXKLIPWJISCDGZ-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.85
Rot. Bonds2

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

5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile (PubChem CID 58382109) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile
PubChem CID58382109
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile
SMILESCc1ccc(S(=O)(=O)n2ccc3nc(C#N)cnc32)cc1
InChIInChI=1S/C14H10N4O2S/c1-10-2-4-12(5-3-10)21(19,20)18-7-6-13-14(18)16-9-11(8-15)17-13/h2-7,9H,1H3
InChIKeyWXKLIPWJISCDGZ-UHFFFAOYSA-N
XLogP1.85
TPSA88.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
[2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid
CID 67216596
2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
CID 58010150
2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;methyl 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carboxylate
CID 162025946
1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]but-3-en-1-amine
CID 58557193
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
4-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 58691740
5-fluoro-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 137352450

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile?
The IUPAC name of 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile (CID 58382109) is 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile?
The canonical SMILES for 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile is Cc1ccc(S(=O)(=O)n2ccc3nc(C#N)cnc32)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile?
The InChIKey is WXKLIPWJISCDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c1-10-2-4-12(5-3-10)21(19,20)18-7-6-13-14(18)16-9-11(8-15)17-13/h2-7,9H,1H3.
What are the key properties of 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile?
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile has a molecular weight of 298.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile is sourced from PubChem (CID 58382109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).