N'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide

C13H15N5O3S — CID 71593418

IUPACN'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide
SMILESCOc1cncc(C(N)=NN(C)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C13H15N5O3S/c1-18(22(19,20)10-6-4-3-5-7-10)17-13(14)11-8-15-9-12(16-11)21-2/h3-9H,1-2H3,(H2,14,17)
InChIKeyLNLRNPKZQMJXDX-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.43
Rot. Bonds5

About N'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide

N'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide (PubChem CID 71593418) has the molecular formula C13H15N5O3S and a molecular weight of 321.36 g/mol. Its IUPAC name is N'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide
PubChem CID71593418
Molecular FormulaC13H15N5O3S
Molecular Weight321.36 g/mol
Exact Mass321.09
IUPAC NameN'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide
SMILESCOc1cncc(C(N)=NN(C)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C13H15N5O3S/c1-18(22(19,20)10-6-4-3-5-7-10)17-13(14)11-8-15-9-12(16-11)21-2/h3-9H,1-2H3,(H2,14,17)
InChIKeyLNLRNPKZQMJXDX-UHFFFAOYSA-N
XLogP0.43
TPSA110.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate
CID 71813563
N'-(benzenesulfonamido)-6-chloropyrazine-2-carboximidamide
CID 71593419
N'-[methyl(methylsulfonyl)amino]pyrazine-2-carboximidamide
CID 170856466
6-phenoxypyrazine-2-carboxamide
CID 21218509
[[amino-(4-methoxyphenyl)methylidene]amino] 2-[benzenesulfonyl(methyl)amino]acetate
CID 2219895
methyl 3-(6-methoxypyrazin-2-yl)-3-oxopropanoate
CID 21398889
6-(3-methylsulfonylphenoxy)pyrazine-2-carboxylic acid
CID 66458475
N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide
CID 91458005
[benzenesulfonyl(methyl)amino]urea
CID 172749121
6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide
CID 137103725
2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927437
1-(benzenesulfonyl)-1-carbamoylurea
CID 70230141

Frequently Asked Questions

What is the IUPAC name of N'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide?
The IUPAC name of N'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide (CID 71593418) is N'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide.
What is the SMILES notation for N'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide?
The canonical SMILES for N'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide is COc1cncc(C(N)=NN(C)S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide?
The InChIKey is LNLRNPKZQMJXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3S/c1-18(22(19,20)10-6-4-3-5-7-10)17-13(14)11-8-15-9-12(16-11)21-2/h3-9H,1-2H3,(H2,14,17).
What are the key properties of N'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide?
N'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide has a molecular weight of 321.36 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[benzenesulfonyl(methyl)amino]-6-methoxypyrazine-2-carboximidamide is sourced from PubChem (CID 71593418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).