N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide

C12H12N4O2S — CID 170856051

IUPACN'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide
SMILESCc1ccc(S(=O)(=O)/N=C(\N)c2cnccn2)cc1
InChIInChI=1S/C12H12N4O2S/c1-9-2-4-10(5-3-9)19(17,18)16-12(13)11-8-14-6-7-15-11/h2-8H,1H3,(H2,13,16)
InChIKeyFPMZYGJYKKMITL-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.88
Rot. Bonds3

About N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide

N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide (PubChem CID 170856051) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide
PubChem CID170856051
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide
SMILESCc1ccc(S(=O)(=O)/N=C(\N)c2cnccn2)cc1
InChIInChI=1S/C12H12N4O2S/c1-9-2-4-10(5-3-9)19(17,18)16-12(13)11-8-14-6-7-15-11/h2-8H,1H3,(H2,13,16)
InChIKeyFPMZYGJYKKMITL-UHFFFAOYSA-N
XLogP0.88
TPSA98.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide
CID 72682316
N'-[(4-chloro-3-pyridinyl)sulfonyl]pyrazine-2-carboximidamide
CID 71713994
N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide
CID 78156545
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528
N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide
CID 170856466
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
CID 73166022
3-hydroxy-3-methyl-N'-(4-methylphenyl)sulfonylbutanimidamide
CID 158662021
N'-propan-2-ylpyrazine-2-carboximidamide
CID 63181346
N'-tert-butylpyrazine-2-carboximidamide
CID 63181941
1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine
CID 70031724
5-[(Z)-N'-(4-methylphenyl)sulfonylcarbamimidoyl]-2-sulfanylidene-1,3-dihydroimidazole-4-carbothioamide
CID 135475646

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide?
The IUPAC name of N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide (CID 170856051) is N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide?
The canonical SMILES for N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide is Cc1ccc(S(=O)(=O)/N=C(\N)c2cnccn2)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide?
The InChIKey is FPMZYGJYKKMITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-9-2-4-10(5-3-9)19(17,18)16-12(13)11-8-14-6-7-15-11/h2-8H,1H3,(H2,13,16).
What are the key properties of N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide?
N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide has a molecular weight of 276.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide is sourced from PubChem (CID 170856051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).