N'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide

C15H15FN2O2S — CID 3336403

IUPACN'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H15FN2O2S/c1-2-17-15(12-6-4-3-5-7-12)18-21(19,20)14-10-8-13(16)9-11-14/h3-11H,2H2,1H3,(H,17,18)
InChIKeyFESYKCWQDSVIHL-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.57
Rot. Bonds4

About N'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide

N'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide (PubChem CID 3336403) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide
PubChem CID3336403
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide
SMILESCC/N=C(/NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H15FN2O2S/c1-2-17-15(12-6-4-3-5-7-12)18-21(19,20)14-10-8-13(16)9-11-14/h3-11H,2H2,1H3,(H,17,18)
InChIKeyFESYKCWQDSVIHL-UHFFFAOYSA-N
XLogP2.57
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.57
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 N'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide (CID 3336403) is N'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide is CC/N=C(/NS(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide?
The InChIKey is FESYKCWQDSVIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-2-17-15(12-6-4-3-5-7-12)18-21(19,20)14-10-8-13(16)9-11-14/h3-11H,2H2,1H3,(H,17,18).
What are the key properties of N'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide?
N'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide has a molecular weight of 306.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(4-fluorophenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 3336403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).