N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide

C11H10ClN5O2S — CID 71593419

IUPACN'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide
SMILESNC(=NNS(=O)(=O)c1ccccc1)c1cncc(Cl)n1
InChIInChI=1S/C11H10ClN5O2S/c12-10-7-14-6-9(15-10)11(13)16-17-20(18,19)8-4-2-1-3-5-8/h1-7,17H,(H2,13,16)
InChIKeyWPXALXIBQXUOOC-UHFFFAOYSA-N
MW311.75 g/mol
LogP0.73
Rot. Bonds4

About N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide

N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide (PubChem CID 71593419) has the molecular formula C11H10ClN5O2S and a molecular weight of 311.75 g/mol. Its IUPAC name is N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide
PubChem CID71593419
Molecular FormulaC11H10ClN5O2S
Molecular Weight311.75 g/mol
Exact Mass311.02
IUPAC NameN'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide
SMILESNC(=NNS(=O)(=O)c1ccccc1)c1cncc(Cl)n1
InChIInChI=1S/C11H10ClN5O2S/c12-10-7-14-6-9(15-10)11(13)16-17-20(18,19)8-4-2-1-3-5-8/h1-7,17H,(H2,13,16)
InChIKeyWPXALXIBQXUOOC-UHFFFAOYSA-N
XLogP0.73
TPSA110.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N'-(2-chlorophenyl)sulfonylpyrazine-2-carboximidamide
CID 121006502
N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
CID 6371801
benzenesulfonohydrazide;(E)-carbamoyliminourea
CID 18359618
N'-(benzenesulfonamido)-2-(4-chlorophenoxy)ethanimidamide
CID 3265581
ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate
CID 5192357
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide
CID 136656380
N-nitrosobenzenesulfonamide
CID 57254362
N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
CID 840428
methyl 2-(6-chloropyrazine-2-carbonyl)benzoate
CID 174797309
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
3-[(6-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 114035227
6-chloro-N-(2-sulfamoylethyl)pyrazine-2-carboxamide
CID 103187109

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide?
The IUPAC name of N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide (CID 71593419) is N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide.
What is the SMILES notation for N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide?
The canonical SMILES for N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide is NC(=NNS(=O)(=O)c1ccccc1)c1cncc(Cl)n1.
What is the InChIKey of N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide?
The InChIKey is WPXALXIBQXUOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2S/c12-10-7-14-6-9(15-10)11(13)16-17-20(18,19)8-4-2-1-3-5-8/h1-7,17H,(H2,13,16).
What are the key properties of N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide?
N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide has a molecular weight of 311.75 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide is sourced from PubChem (CID 71593419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).