2-(4-methoxyphenyl)sulfonylguanidine

C8H11N3O3S — CID 10775754

IUPAC2-(4-methoxyphenyl)sulfonylguanidine
SMILESCOc1ccc(S(=O)(=O)N=C(N)N)cc1
InChIInChI=1S/C8H11N3O3S/c1-14-6-2-4-7(5-3-6)15(12,13)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
InChIKeyQVKJXPUNXBHFEZ-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.34
Rot. Bonds3

About 2-(4-methoxyphenyl)sulfonylguanidine

2-(4-methoxyphenyl)sulfonylguanidine (PubChem CID 10775754) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonylguanidine
PubChem CID10775754
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name2-(4-methoxyphenyl)sulfonylguanidine
SMILESCOc1ccc(S(=O)(=O)N=C(N)N)cc1
InChIInChI=1S/C8H11N3O3S/c1-14-6-2-4-7(5-3-6)15(12,13)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
InChIKeyQVKJXPUNXBHFEZ-UHFFFAOYSA-N
XLogP-0.34
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
N'-(4-methoxyphenyl)sulfonyloxamide
CID 68844028
N'-(4-methoxyphenyl)sulfonyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanimidamide
CID 19091391
hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane
CID 6912594
potassium;hydride;4-methoxybenzenesulfonamide
CID 173359933
4-methoxybenzenesulfonyl iodide
CID 23080708
dimethyl (E)-2-[4-(diaminomethylideneamino)sulfonylanilino]but-2-enedioate
CID 168565933
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite
CID 118689702
trihydroxy-(4-methoxyphenyl)-λ4-sulfane
CID 91517982
1-(4-methoxyphenyl)sulfonylethanamine
CID 117036167
2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine
CID 2842661

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonylguanidine?
The IUPAC name of 2-(4-methoxyphenyl)sulfonylguanidine (CID 10775754) is 2-(4-methoxyphenyl)sulfonylguanidine.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonylguanidine?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonylguanidine is COc1ccc(S(=O)(=O)N=C(N)N)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonylguanidine?
The InChIKey is QVKJXPUNXBHFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-14-6-2-4-7(5-3-6)15(12,13)11-8(9)10/h2-5H,1H3,(H4,9,10,11).
What are the key properties of 2-(4-methoxyphenyl)sulfonylguanidine?
2-(4-methoxyphenyl)sulfonylguanidine has a molecular weight of 229.26 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonylguanidine is sourced from PubChem (CID 10775754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).