1,2-bis[(2-fluorophenyl)sulfonyl]guanidine

C13H11F2N3O4S2 — CID 70472018

IUPAC1,2-bis[(2-fluorophenyl)sulfonyl]guanidine
SMILESNC(=NS(=O)(=O)c1ccccc1F)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H11F2N3O4S2/c14-9-5-1-3-7-11(9)23(19,20)17-13(16)18-24(21,22)12-8-4-2-6-10(12)15/h1-8H,(H3,16,17,18)
InChIKeyCYGLOWSKWCZIGF-UHFFFAOYSA-N
MW375.38 g/mol
LogP0.95
Rot. Bonds4

About 1,2-bis[(2-fluorophenyl)sulfonyl]guanidine

1,2-bis[(2-fluorophenyl)sulfonyl]guanidine (PubChem CID 70472018) has the molecular formula C13H11F2N3O4S2 and a molecular weight of 375.38 g/mol. Its IUPAC name is 1,2-bis[(2-fluorophenyl)sulfonyl]guanidine.

Molecular Properties

Compound Name1,2-bis[(2-fluorophenyl)sulfonyl]guanidine
PubChem CID70472018
Molecular FormulaC13H11F2N3O4S2
Molecular Weight375.38 g/mol
Exact Mass375.02
IUPAC Name1,2-bis[(2-fluorophenyl)sulfonyl]guanidine
SMILESNC(=NS(=O)(=O)c1ccccc1F)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H11F2N3O4S2/c14-9-5-1-3-7-11(9)23(19,20)17-13(16)18-24(21,22)12-8-4-2-6-10(12)15/h1-8H,(H3,16,17,18)
InChIKeyCYGLOWSKWCZIGF-UHFFFAOYSA-N
XLogP0.95
TPSA118.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 50.95
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-bis[(2-fluorophenyl)sulfonyl]guanidine?
The IUPAC name of 1,2-bis[(2-fluorophenyl)sulfonyl]guanidine (CID 70472018) is 1,2-bis[(2-fluorophenyl)sulfonyl]guanidine.
What is the SMILES notation for 1,2-bis[(2-fluorophenyl)sulfonyl]guanidine?
The canonical SMILES for 1,2-bis[(2-fluorophenyl)sulfonyl]guanidine is NC(=NS(=O)(=O)c1ccccc1F)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 1,2-bis[(2-fluorophenyl)sulfonyl]guanidine?
The InChIKey is CYGLOWSKWCZIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O4S2/c14-9-5-1-3-7-11(9)23(19,20)17-13(16)18-24(21,22)12-8-4-2-6-10(12)15/h1-8H,(H3,16,17,18).
What are the key properties of 1,2-bis[(2-fluorophenyl)sulfonyl]guanidine?
1,2-bis[(2-fluorophenyl)sulfonyl]guanidine has a molecular weight of 375.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(2-fluorophenyl)sulfonyl]guanidine is sourced from PubChem (CID 70472018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).