1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine

C15H16ClN3O2S — CID 7197407

IUPAC1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine
SMILESN/C(=N\CCc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16ClN3O2S/c16-13-8-6-12(7-9-13)10-11-18-15(17)19-22(20,21)14-4-2-1-3-5-14/h1-9H,10-11H2,(H3,17,18,19)
InChIKeyLGYVDNDAOBWDFY-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.18
Rot. Bonds5

About 1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine

1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine (PubChem CID 7197407) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine
PubChem CID7197407
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine
SMILESN/C(=N\CCc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16ClN3O2S/c16-13-8-6-12(7-9-13)10-11-18-15(17)19-22(20,21)14-4-2-1-3-5-14/h1-9H,10-11H2,(H3,17,18,19)
InChIKeyLGYVDNDAOBWDFY-UHFFFAOYSA-N
XLogP2.18
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.18
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 1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine 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 1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine?
The IUPAC name of 1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine (CID 7197407) is 1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine?
The canonical SMILES for 1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine is N/C(=N\CCc1ccc(Cl)cc1)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine?
The InChIKey is LGYVDNDAOBWDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c16-13-8-6-12(7-9-13)10-11-18-15(17)19-22(20,21)14-4-2-1-3-5-14/h1-9H,10-11H2,(H3,17,18,19).
What are the key properties of 1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine?
1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine has a molecular weight of 337.83 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-[2-(4-chlorophenyl)ethyl]guanidine is sourced from PubChem (CID 7197407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).