N-[(E)-1-phenylethylideneamino]methanesulfonamide

C9H12N2O2S — CID 5339778

IUPACN-[(E)-1-phenylethylideneamino]methanesulfonamide
SMILESC/C(=N\NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C9H12N2O2S/c1-8(10-11-14(2,12)13)9-6-4-3-5-7-9/h3-7,11H,1-2H3/b10-8+
InChIKeyIWMFBKOEHNTGST-CSKARUKUSA-N
MW212.27 g/mol
LogP0.96
Rot. Bonds3

About N-[(E)-1-phenylethylideneamino]methanesulfonamide

N-[(E)-1-phenylethylideneamino]methanesulfonamide (PubChem CID 5339778) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N-[(E)-1-phenylethylideneamino]methanesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-phenylethylideneamino]methanesulfonamide
PubChem CID5339778
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN-[(E)-1-phenylethylideneamino]methanesulfonamide
SMILESC/C(=N\NS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C9H12N2O2S/c1-8(10-11-14(2,12)13)9-6-4-3-5-7-9/h3-7,11H,1-2H3/b10-8+
InChIKeyIWMFBKOEHNTGST-CSKARUKUSA-N
XLogP0.96
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.96
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)-1-phenylethylideneamino]methanesulfonamide?
The IUPAC name of N-[(E)-1-phenylethylideneamino]methanesulfonamide (CID 5339778) is N-[(E)-1-phenylethylideneamino]methanesulfonamide.
What is the SMILES notation for N-[(E)-1-phenylethylideneamino]methanesulfonamide?
The canonical SMILES for N-[(E)-1-phenylethylideneamino]methanesulfonamide is C/C(=N\NS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[(E)-1-phenylethylideneamino]methanesulfonamide?
The InChIKey is IWMFBKOEHNTGST-CSKARUKUSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-8(10-11-14(2,12)13)9-6-4-3-5-7-9/h3-7,11H,1-2H3/b10-8+.
What are the key properties of N-[(E)-1-phenylethylideneamino]methanesulfonamide?
N-[(E)-1-phenylethylideneamino]methanesulfonamide has a molecular weight of 212.27 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylethylideneamino]methanesulfonamide is sourced from PubChem (CID 5339778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).