N-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide

C13H12N2O4S — CID 2796419

IUPACN-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C13H12N2O4S/c1-10(16)15-20(17,18)13-6-4-11(5-7-13)14-9-12-3-2-8-19-12/h2-9H,1H3,(H,15,16)/b14-9+
InChIKeyPZDKBKNFAGJNJT-NTEUORMPSA-N
MW292.32 g/mol
LogP1.86
Rot. Bonds4

About N-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide

N-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide (PubChem CID 2796419) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide
PubChem CID2796419
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC NameN-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C13H12N2O4S/c1-10(16)15-20(17,18)13-6-4-11(5-7-13)14-9-12-3-2-8-19-12/h2-9H,1H3,(H,15,16)/b14-9+
InChIKeyPZDKBKNFAGJNJT-NTEUORMPSA-N
XLogP1.86
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide?
The IUPAC name of N-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide (CID 2796419) is N-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(/N=C/c2ccco2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide?
The InChIKey is PZDKBKNFAGJNJT-NTEUORMPSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-10(16)15-20(17,18)13-6-4-11(5-7-13)14-9-12-3-2-8-19-12/h2-9H,1H3,(H,15,16)/b14-9+.
What are the key properties of N-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide?
N-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide has a molecular weight of 292.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylideneamino)phenyl]sulfonylacetamide is sourced from PubChem (CID 2796419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).