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

C11H11N5O2S — CID 72682316

IUPACN'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide
SMILESNC(=NS(=O)(=O)c1ccc(N)cc1)c1cnccn1
InChIInChI=1S/C11H11N5O2S/c12-8-1-3-9(4-2-8)19(17,18)16-11(13)10-7-14-5-6-15-10/h1-7H,12H2,(H2,13,16)
InChIKeyWZNVPVHTKCVZJX-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.15
Rot. Bonds3

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

N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide (PubChem CID 72682316) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide
PubChem CID72682316
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC NameN'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide
SMILESNC(=NS(=O)(=O)c1ccc(N)cc1)c1cnccn1
InChIInChI=1S/C11H11N5O2S/c12-8-1-3-9(4-2-8)19(17,18)16-11(13)10-7-14-5-6-15-10/h1-7H,12H2,(H2,13,16)
InChIKeyWZNVPVHTKCVZJX-UHFFFAOYSA-N
XLogP0.15
TPSA124.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide
CID 170856051
N'-[(4-chloro-3-pyridinyl)sulfonyl]pyrazine-2-carboximidamide
CID 71713994
N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide
CID 78156545
sodium N'-(4-aminophenyl)sulfonylcarbamimidate
CID 138399650
CID 131880907
CID 131880907
N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide
CID 170856466
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N'-tert-butylpyrazine-2-carboximidamide
CID 63181941
N'-propan-2-ylpyrazine-2-carboximidamide
CID 63181346
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457
N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide
CID 168720535
acetamide;pyrazin-2-amine
CID 175290934

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide?
The IUPAC name of N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide (CID 72682316) is N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide.
What is the SMILES notation for N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide?
The canonical SMILES for N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide is NC(=NS(=O)(=O)c1ccc(N)cc1)c1cnccn1.
What is the InChIKey of N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide?
The InChIKey is WZNVPVHTKCVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c12-8-1-3-9(4-2-8)19(17,18)16-11(13)10-7-14-5-6-15-10/h1-7H,12H2,(H2,13,16).
What are the key properties of N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide?
N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide has a molecular weight of 277.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide is sourced from PubChem (CID 72682316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).