N'-(benzenesulfonyl)ethanimidamide

C8H10N2O2S — CID 3716690

IUPACN'-(benzenesulfonyl)ethanimidamide
SMILESCC(N)=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10N2O2S/c1-7(9)10-13(11,12)8-5-3-2-4-6-8/h2-6H,1H3,(H2,9,10)
InChIKeyQLRTZHODCNASHV-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.75
Rot. Bonds2

About N'-(benzenesulfonyl)ethanimidamide

N'-(benzenesulfonyl)ethanimidamide (PubChem CID 3716690) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N'-(benzenesulfonyl)ethanimidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)ethanimidamide
PubChem CID3716690
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN'-(benzenesulfonyl)ethanimidamide
SMILESCC(N)=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10N2O2S/c1-7(9)10-13(11,12)8-5-3-2-4-6-8/h2-6H,1H3,(H2,9,10)
InChIKeyQLRTZHODCNASHV-UHFFFAOYSA-N
XLogP0.75
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.75
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'-(benzenesulfonyl)ethanimidamide?
The IUPAC name of N'-(benzenesulfonyl)ethanimidamide (CID 3716690) is N'-(benzenesulfonyl)ethanimidamide.
What is the SMILES notation for N'-(benzenesulfonyl)ethanimidamide?
The canonical SMILES for N'-(benzenesulfonyl)ethanimidamide is CC(N)=NS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)ethanimidamide?
The InChIKey is QLRTZHODCNASHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-7(9)10-13(11,12)8-5-3-2-4-6-8/h2-6H,1H3,(H2,9,10).
What are the key properties of N'-(benzenesulfonyl)ethanimidamide?
N'-(benzenesulfonyl)ethanimidamide has a molecular weight of 198.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)ethanimidamide is sourced from PubChem (CID 3716690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).