N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide

C11H9ClN4O2S — CID 78156545

IUPACN'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide
SMILESNC(=NS(=O)(=O)c1ccccc1Cl)c1cnccn1
InChIInChI=1S/C11H9ClN4O2S/c12-8-3-1-2-4-10(8)19(17,18)16-11(13)9-7-14-5-6-15-9/h1-7H,(H2,13,16)
InChIKeyRKIMIZUJMCVCPZ-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.22
Rot. Bonds3

About N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide

N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide (PubChem CID 78156545) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide
PubChem CID78156545
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC NameN'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide
SMILESNC(=NS(=O)(=O)c1ccccc1Cl)c1cnccn1
InChIInChI=1S/C11H9ClN4O2S/c12-8-3-1-2-4-10(8)19(17,18)16-11(13)9-7-14-5-6-15-9/h1-7H,(H2,13,16)
InChIKeyRKIMIZUJMCVCPZ-UHFFFAOYSA-N
XLogP1.22
TPSA98.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 51.22
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-chloro-3-pyridinyl)sulfonyl]pyrazine-2-carboximidamide
CID 71713994
6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide
CID 121006502
N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide
CID 72682316
N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide
CID 170856051
2-chloro-N-(diethoxymethylidene)benzenesulfonamide
CID 54105451
2-(2-chlorophenyl)-1-pyrazin-2-ylethanone
CID 60799259
methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate
CID 119084852
N'-tert-butylpyrazine-2-carboximidamide
CID 63181941
2-chlorobenzenesulfonamide;2,3-dichloropyrazine
CID 161113085
N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide
CID 170856466
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrazin-2-ylmethanone
CID 27563231
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5422251

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide?
The IUPAC name of N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide (CID 78156545) is N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide.
What is the SMILES notation for N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide?
The canonical SMILES for N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide is NC(=NS(=O)(=O)c1ccccc1Cl)c1cnccn1.
What is the InChIKey of N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide?
The InChIKey is RKIMIZUJMCVCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c12-8-3-1-2-4-10(8)19(17,18)16-11(13)9-7-14-5-6-15-9/h1-7H,(H2,13,16).
What are the key properties of N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide?
N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide has a molecular weight of 296.74 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide is sourced from PubChem (CID 78156545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).