2-(4-fluorophenyl)sulfonylguanidine

C7H8FN3O2S — CID 4670471

IUPAC2-(4-fluorophenyl)sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C7H8FN3O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKeySZDPXDDUQKHKII-UHFFFAOYSA-N
MW217.23 g/mol
LogP-0.21
Rot. Bonds2

About 2-(4-fluorophenyl)sulfonylguanidine

2-(4-fluorophenyl)sulfonylguanidine (PubChem CID 4670471) has the molecular formula C7H8FN3O2S and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonylguanidine
PubChem CID4670471
Molecular FormulaC7H8FN3O2S
Molecular Weight217.23 g/mol
Exact Mass217.03
IUPAC Name2-(4-fluorophenyl)sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C7H8FN3O2S/c8-5-1-3-6(4-2-5)14(12,13)11-7(9)10/h1-4H,(H4,9,10,11)
InChIKeySZDPXDDUQKHKII-UHFFFAOYSA-N
XLogP-0.21
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 5-0.21
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'}

Analyze 2-(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

Related Compounds

Benzenesulfonamide
CID 7370
4-Fluorobenzenesulfonamide
CID 120231
3-Fluorobenzenesulfonamide
CID 150924
2-Fluorobenzenesulfonamide
CID 193663
2,4-Difluorobenzenesulfonamide
CID 574964
N-Methylbenzenesulfonamide
CID 78858
2,5-Difluorobenzenesulfonamide
CID 147822
2,6-Difluorobenzenesulfonamide
CID 446274
3,5-Difluorobenzenesulfonamide
CID 446275
4-fluoro-N-hydroxybenzene-1-sulfonamide
CID 12635074
4-fluoro-N-methylbenzene-1-sulfonamide
CID 2440054
N-Ethyl-4-fluorobenzenesulfonamide
CID 565733

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonylguanidine?
The IUPAC name of 2-(4-fluorophenyl)sulfonylguanidine (CID 4670471) is 2-(4-fluorophenyl)sulfonylguanidine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonylguanidine?
The canonical SMILES for 2-(4-fluorophenyl)sulfonylguanidine is NC(N)=NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonylguanidine?
The InChIKey is SZDPXDDUQKHKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2S/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-fluorophenyl)sulfonylguanidine?
2-(4-fluorophenyl)sulfonylguanidine has a molecular weight of 217.23 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonylguanidine is sourced from PubChem (CID 4670471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).