2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine

C15H15ClFN3O2S — CID 7197410

IUPAC2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine
SMILESN/C(=N\CCc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3O2S/c16-12-3-1-11(2-4-12)9-10-19-15(18)20-23(21,22)14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H3,18,19,20)
InChIKeyOBWSAOBQKPUGID-UHFFFAOYSA-N
MW355.82 g/mol
LogP2.31
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine

2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine (PubChem CID 7197410) has the molecular formula C15H15ClFN3O2S and a molecular weight of 355.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine
PubChem CID7197410
Molecular FormulaC15H15ClFN3O2S
Molecular Weight355.82 g/mol
Exact Mass355.06
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine
SMILESN/C(=N\CCc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H15ClFN3O2S/c16-12-3-1-11(2-4-12)9-10-19-15(18)20-23(21,22)14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H3,18,19,20)
InChIKeyOBWSAOBQKPUGID-UHFFFAOYSA-N
XLogP2.31
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 52.31
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'}

Analyze 2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine (CID 7197410) is 2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine is N/C(=N\CCc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine?
The InChIKey is OBWSAOBQKPUGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2S/c16-12-3-1-11(2-4-12)9-10-19-15(18)20-23(21,22)14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H3,18,19,20).
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine?
2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine has a molecular weight of 355.82 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylguanidine is sourced from PubChem (CID 7197410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).