N'-ethylsulfonylbenzenecarboximidamide

C9H12N2O2S — CID 2306902

IUPACN'-ethylsulfonylbenzenecarboximidamide
SMILESCCS(=O)(=O)N=C(N)c1ccccc1
InChIInChI=1S/C9H12N2O2S/c1-2-14(12,13)11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11)
InChIKeyJYOAURHPZYFORV-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.74
Rot. Bonds3

About N'-ethylsulfonylbenzenecarboximidamide

N'-ethylsulfonylbenzenecarboximidamide (PubChem CID 2306902) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N'-ethylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-ethylsulfonylbenzenecarboximidamide
PubChem CID2306902
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN'-ethylsulfonylbenzenecarboximidamide
SMILESCCS(=O)(=O)N=C(N)c1ccccc1
InChIInChI=1S/C9H12N2O2S/c1-2-14(12,13)11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11)
InChIKeyJYOAURHPZYFORV-UHFFFAOYSA-N
XLogP0.74
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.74
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethylsulfonylbenzenecarboximidamide?
The IUPAC name of N'-ethylsulfonylbenzenecarboximidamide (CID 2306902) is N'-ethylsulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-ethylsulfonylbenzenecarboximidamide?
The canonical SMILES for N'-ethylsulfonylbenzenecarboximidamide is CCS(=O)(=O)N=C(N)c1ccccc1.
What is the InChIKey of N'-ethylsulfonylbenzenecarboximidamide?
The InChIKey is JYOAURHPZYFORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-14(12,13)11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11).
What are the key properties of N'-ethylsulfonylbenzenecarboximidamide?
N'-ethylsulfonylbenzenecarboximidamide has a molecular weight of 212.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 2306902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).