4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide

C17H19FN2O2S — CID 2946001

IUPAC4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(/NS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c1-3-12-19-17(14-6-8-15(18)9-7-14)20-23(21,22)16-10-4-13(2)5-11-16/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyAVFMBJWMQLWOGM-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.27
Rot. Bonds5

About 4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide

4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide (PubChem CID 2946001) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide.

Molecular Properties

Compound Name4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide
PubChem CID2946001
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(/NS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c1-3-12-19-17(14-6-8-15(18)9-7-14)20-23(21,22)16-10-4-13(2)5-11-16/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyAVFMBJWMQLWOGM-UHFFFAOYSA-N
XLogP3.27
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
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 4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide?
The IUPAC name of 4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide (CID 2946001) is 4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide.
What is the SMILES notation for 4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide?
The canonical SMILES for 4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide is CCC/N=C(/NS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide?
The InChIKey is AVFMBJWMQLWOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-3-12-19-17(14-6-8-15(18)9-7-14)20-23(21,22)16-10-4-13(2)5-11-16/h4-11H,3,12H2,1-2H3,(H,19,20).
What are the key properties of 4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide?
4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide has a molecular weight of 334.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methylphenyl)sulfonyl-N'-propylbenzenecarboximidamide is sourced from PubChem (CID 2946001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).