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

C11H8Cl2N4O2S — CID 121006502

IUPAC6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide
SMILESN/C(=N\S(=O)(=O)c1ccccc1Cl)c1cncc(Cl)n1
InChIInChI=1S/C11H8Cl2N4O2S/c12-7-3-1-2-4-9(7)20(18,19)17-11(14)8-5-15-6-10(13)16-8/h1-6H,(H2,14,17)
InChIKeyLPTSEYKAEPIDEW-UHFFFAOYSA-N
MW331.18 g/mol
LogP1.88
Rot. Bonds3

About 6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide

6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide (PubChem CID 121006502) has the molecular formula C11H8Cl2N4O2S and a molecular weight of 331.18 g/mol. Its IUPAC name is 6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide.

Molecular Properties

Compound Name6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide
PubChem CID121006502
Molecular FormulaC11H8Cl2N4O2S
Molecular Weight331.18 g/mol
Exact Mass329.97
IUPAC Name6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide
SMILESN/C(=N\S(=O)(=O)c1ccccc1Cl)c1cncc(Cl)n1
InChIInChI=1S/C11H8Cl2N4O2S/c12-7-3-1-2-4-9(7)20(18,19)17-11(14)8-5-15-6-10(13)16-8/h1-6H,(H2,14,17)
InChIKeyLPTSEYKAEPIDEW-UHFFFAOYSA-N
XLogP1.88
TPSA98.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 51.88
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'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide
CID 78156545
N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide
CID 71593419
N'-[(4-chloro-3-pyridinyl)sulfonyl]pyrazine-2-carboximidamide
CID 71713994
2-chloro-N-(diethoxymethylidene)benzenesulfonamide
CID 54105451
2-(2-chlorophenyl)sulfonylacetamide
CID 13345372
2-[(2,6-dichloro-3-pyridinyl)sulfonyl]guanidine
CID 22074539
methyl N'-[(4-chloro-3-pyridinyl)sulfonyl]carbamimidate
CID 119084852
2-chlorobenzenesulfonate;rubidium(1+)
CID 139842295
methyl 2-(6-chloropyrazine-2-carbonyl)benzoate
CID 174797309
(2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate
CID 106547527
(2-fluorophenyl)methyl 6-chloropyrazine-2-carboxylate
CID 106547525
potassium;2-chlorobenzenesulfonic acid;hydride
CID 173108093

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide?
The IUPAC name of 6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide (CID 121006502) is 6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide.
What is the SMILES notation for 6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide?
The canonical SMILES for 6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide is N/C(=N\S(=O)(=O)c1ccccc1Cl)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide?
The InChIKey is LPTSEYKAEPIDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O2S/c12-7-3-1-2-4-9(7)20(18,19)17-11(14)8-5-15-6-10(13)16-8/h1-6H,(H2,14,17).
What are the key properties of 6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide?
6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide has a molecular weight of 331.18 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide is sourced from PubChem (CID 121006502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).