4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide

C14H13FN2O2S — CID 2872578

IUPAC4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N=C(N)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H13FN2O2S/c1-10-2-8-13(9-3-10)20(18,19)17-14(16)11-4-6-12(15)7-5-11/h2-9H,1H3,(H2,16,17)
InChIKeyJYXYZMUPJHHODT-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.23
Rot. Bonds3

About 4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide

4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide (PubChem CID 2872578) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
PubChem CID2872578
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC Name4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N=C(N)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H13FN2O2S/c1-10-2-8-13(9-3-10)20(18,19)17-14(16)11-4-6-12(15)7-5-11/h2-9H,1H3,(H2,16,17)
InChIKeyJYXYZMUPJHHODT-UHFFFAOYSA-N
XLogP2.23
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide 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 4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of 4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide (CID 2872578) is 4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for 4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for 4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide is Cc1ccc(S(=O)(=O)N=C(N)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The InChIKey is JYXYZMUPJHHODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-10-2-8-13(9-3-10)20(18,19)17-14(16)11-4-6-12(15)7-5-11/h2-9H,1H3,(H2,16,17).
What are the key properties of 4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide has a molecular weight of 292.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 2872578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).