1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine

C16H18FN3O3S — CID 7197542

IUPAC1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
SMILESCOc1ccccc1CC/N=C(\N)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H18FN3O3S/c1-23-14-8-4-2-6-12(14)10-11-19-16(18)20-24(21,22)15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H3,18,19,20)
InChIKeyUJFXYYMYSXUMJI-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.67
Rot. Bonds6

About 1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine

1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine (PubChem CID 7197542) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
PubChem CID7197542
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
SMILESCOc1ccccc1CC/N=C(\N)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H18FN3O3S/c1-23-14-8-4-2-6-12(14)10-11-19-16(18)20-24(21,22)15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H3,18,19,20)
InChIKeyUJFXYYMYSXUMJI-UHFFFAOYSA-N
XLogP1.67
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine (CID 7197542) is 1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine is COc1ccccc1CC/N=C(\N)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine?
The InChIKey is UJFXYYMYSXUMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-23-14-8-4-2-6-12(14)10-11-19-16(18)20-24(21,22)15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H3,18,19,20).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine?
1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine has a molecular weight of 351.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-2-[2-(2-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 7197542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).