4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide

C14H16N2O3S — CID 5415330

IUPAC4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)o1
InChIInChI=1S/C14H16N2O3S/c1-10-4-7-13(8-5-10)20(17,18)16-15-12(3)14-9-6-11(2)19-14/h4-9,16H,1-3H3/b15-12+
InChIKeyVPIRQNZWLUYGDZ-NTCAYCPXSA-N
MW292.36 g/mol
LogP2.60
Rot. Bonds4

About 4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide

4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide (PubChem CID 5415330) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide
PubChem CID5415330
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)o1
InChIInChI=1S/C14H16N2O3S/c1-10-4-7-13(8-5-10)20(17,18)16-15-12(3)14-9-6-11(2)19-14/h4-9,16H,1-3H3/b15-12+
InChIKeyVPIRQNZWLUYGDZ-NTCAYCPXSA-N
XLogP2.60
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide (CID 5415330) is 4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide is C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)o1.
What is the InChIKey of 4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide?
The InChIKey is VPIRQNZWLUYGDZ-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-4-7-13(8-5-10)20(17,18)16-15-12(3)14-9-6-11(2)19-14/h4-9,16H,1-3H3/b15-12+.
What are the key properties of 4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 5415330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).