2-(4-chlorophenyl)sulfonylguanidine

C7H8ClN3O2S — CID 3487462

IUPAC2-(4-chlorophenyl)sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C7H8ClN3O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKeyDORFYTCSPKNSDD-UHFFFAOYSA-N
MW233.68 g/mol
LogP0.30
Rot. Bonds2

About 2-(4-chlorophenyl)sulfonylguanidine

2-(4-chlorophenyl)sulfonylguanidine (PubChem CID 3487462) has the molecular formula C7H8ClN3O2S and a molecular weight of 233.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonylguanidine
PubChem CID3487462
Molecular FormulaC7H8ClN3O2S
Molecular Weight233.68 g/mol
Exact Mass233.00
IUPAC Name2-(4-chlorophenyl)sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C7H8ClN3O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKeyDORFYTCSPKNSDD-UHFFFAOYSA-N
XLogP0.30
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)sulfonylguanidine?
The IUPAC name of 2-(4-chlorophenyl)sulfonylguanidine (CID 3487462) is 2-(4-chlorophenyl)sulfonylguanidine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonylguanidine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonylguanidine is NC(N)=NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonylguanidine?
The InChIKey is DORFYTCSPKNSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,(H4,9,10,11).
What are the key properties of 2-(4-chlorophenyl)sulfonylguanidine?
2-(4-chlorophenyl)sulfonylguanidine has a molecular weight of 233.68 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonylguanidine is sourced from PubChem (CID 3487462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).