N-[(E)-benzylideneamino]methanesulfonamide

C8H10N2O2S — CID 6895714

IUPACN-[(E)-benzylideneamino]methanesulfonamide
SMILESCS(=O)(=O)N/N=C/c1ccccc1
InChIInChI=1S/C8H10N2O2S/c1-13(11,12)10-9-7-8-5-3-2-4-6-8/h2-7,10H,1H3/b9-7+
InChIKeyOAKWDJZMYUUGPP-VQHVLOKHSA-N
MW198.25 g/mol
LogP0.57
Rot. Bonds3

About N-[(E)-benzylideneamino]methanesulfonamide

N-[(E)-benzylideneamino]methanesulfonamide (PubChem CID 6895714) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]methanesulfonamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]methanesulfonamide
PubChem CID6895714
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN-[(E)-benzylideneamino]methanesulfonamide
SMILESCS(=O)(=O)N/N=C/c1ccccc1
InChIInChI=1S/C8H10N2O2S/c1-13(11,12)10-9-7-8-5-3-2-4-6-8/h2-7,10H,1H3/b9-7+
InChIKeyOAKWDJZMYUUGPP-VQHVLOKHSA-N
XLogP0.57
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]methanesulfonamide?
The IUPAC name of N-[(E)-benzylideneamino]methanesulfonamide (CID 6895714) is N-[(E)-benzylideneamino]methanesulfonamide.
What is the SMILES notation for N-[(E)-benzylideneamino]methanesulfonamide?
The canonical SMILES for N-[(E)-benzylideneamino]methanesulfonamide is CS(=O)(=O)N/N=C/c1ccccc1.
What is the InChIKey of N-[(E)-benzylideneamino]methanesulfonamide?
The InChIKey is OAKWDJZMYUUGPP-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-13(11,12)10-9-7-8-5-3-2-4-6-8/h2-7,10H,1H3/b9-7+.
What are the key properties of N-[(E)-benzylideneamino]methanesulfonamide?
N-[(E)-benzylideneamino]methanesulfonamide has a molecular weight of 198.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]methanesulfonamide is sourced from PubChem (CID 6895714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).