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

C14H13N5O3S — CID 174659530

IUPAC5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide
SMILESCc1ccc(S(=O)(=O)n2ccc3nc(C(=O)NN)cnc32)cc1
InChIInChI=1S/C14H13N5O3S/c1-9-2-4-10(5-3-9)23(21,22)19-7-6-11-13(19)16-8-12(17-11)14(20)18-15/h2-8H,15H2,1H3,(H,18,20)
InChIKeyLUFHUJZKIBPZTE-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.58
Rot. Bonds3

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

5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide (PubChem CID 174659530) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide
PubChem CID174659530
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC Name5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide
SMILESCc1ccc(S(=O)(=O)n2ccc3nc(C(=O)NN)cnc32)cc1
InChIInChI=1S/C14H13N5O3S/c1-9-2-4-10(5-3-9)23(21,22)19-7-6-11-13(19)16-8-12(17-11)14(20)18-15/h2-8H,15H2,1H3,(H,18,20)
InChIKeyLUFHUJZKIBPZTE-UHFFFAOYSA-N
XLogP0.58
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine;methyl 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carboxylate
CID 162025946
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbonitrile
CID 58382109
[2,2-dimethyl-1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]propyl]carbamic acid
CID 67216596
methyl-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]methyl]diazene
CID 143912182
1-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]but-3-en-1-amine
CID 58557193
tert-butyl N-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]carbamate
CID 58009926
cis-(3R,4S)-3-methyl-4-[2-[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]cyclopentan-1-one
CID 89440560
2-(1-azidoethyl)-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
CID 58010150
ethyl N-[3-[[[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]carbamoyl]cyclopentyl]carbamate
CID 123820039
5-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 151827977
[4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methanol
CID 68791607
[2-[ethoxycarbonyl-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl] pyrrolidine-1-carboxylate
CID 175957452

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide?
The IUPAC name of 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide (CID 174659530) is 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide.
What is the SMILES notation for 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide?
The canonical SMILES for 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide is Cc1ccc(S(=O)(=O)n2ccc3nc(C(=O)NN)cnc32)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide?
The InChIKey is LUFHUJZKIBPZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-9-2-4-10(5-3-9)23(21,22)19-7-6-11-13(19)16-8-12(17-11)14(20)18-15/h2-8H,15H2,1H3,(H,18,20).
What are the key properties of 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide?
5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide has a molecular weight of 331.36 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine-2-carbohydrazide is sourced from PubChem (CID 174659530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).