2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine

C17H21N3O4S — CID 7197555

IUPAC2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine
SMILESCOc1ccc(CC/N=C(\N)NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21N3O4S/c1-23-14-5-3-13(4-6-14)11-12-19-17(18)20-25(21,22)16-9-7-15(24-2)8-10-16/h3-10H,11-12H2,1-2H3,(H3,18,19,20)
InChIKeySJHYVESYWMPNDX-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.54
Rot. Bonds7

About 2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine

2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine (PubChem CID 7197555) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine
PubChem CID7197555
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine
SMILESCOc1ccc(CC/N=C(\N)NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21N3O4S/c1-23-14-5-3-13(4-6-14)11-12-19-17(18)20-25(21,22)16-9-7-15(24-2)8-10-16/h3-10H,11-12H2,1-2H3,(H3,18,19,20)
InChIKeySJHYVESYWMPNDX-UHFFFAOYSA-N
XLogP1.54
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.54
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine (CID 7197555) is 2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine is COc1ccc(CC/N=C(\N)NS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine?
The InChIKey is SJHYVESYWMPNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-23-14-5-3-13(4-6-14)11-12-19-17(18)20-25(21,22)16-9-7-15(24-2)8-10-16/h3-10H,11-12H2,1-2H3,(H3,18,19,20).
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine?
2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine has a molecular weight of 363.44 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylguanidine is sourced from PubChem (CID 7197555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).