2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine

C15H12ClN3O2S2 — CID 11793247

IUPAC2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine
SMILESN/C(=N\S(=O)(=O)c1cc2ccccc2s1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2S2/c16-11-5-7-12(8-6-11)18-15(17)19-23(20,21)14-9-10-3-1-2-4-13(10)22-14/h1-9H,(H3,17,18,19)
InChIKeyPQWPLSFNCINYHE-UHFFFAOYSA-N
MW365.87 g/mol
LogP3.67
Rot. Bonds3

About 2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine

2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine (PubChem CID 11793247) has the molecular formula C15H12ClN3O2S2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine
PubChem CID11793247
Molecular FormulaC15H12ClN3O2S2
Molecular Weight365.87 g/mol
Exact Mass365.01
IUPAC Name2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine
SMILESN/C(=N\S(=O)(=O)c1cc2ccccc2s1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2S2/c16-11-5-7-12(8-6-11)18-15(17)19-23(20,21)14-9-10-3-1-2-4-13(10)22-14/h1-9H,(H3,17,18,19)
InChIKeyPQWPLSFNCINYHE-UHFFFAOYSA-N
XLogP3.67
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.67
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine?
The IUPAC name of 2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine (CID 11793247) is 2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine.
What is the SMILES notation for 2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine?
The canonical SMILES for 2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine is N/C(=N\S(=O)(=O)c1cc2ccccc2s1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine?
The InChIKey is PQWPLSFNCINYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S2/c16-11-5-7-12(8-6-11)18-15(17)19-23(20,21)14-9-10-3-1-2-4-13(10)22-14/h1-9H,(H3,17,18,19).
What are the key properties of 2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine?
2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine has a molecular weight of 365.87 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)guanidine is sourced from PubChem (CID 11793247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).