N-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide

C13H14N2O4S — CID 24819128

IUPACN-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NN=C(C)c2ccco2)cc1
InChIInChI=1S/C13H14N2O4S/c1-10(13-4-3-9-19-13)14-15-20(16,17)12-7-5-11(18-2)6-8-12/h3-9,15H,1-2H3
InChIKeyLQLZYPOYVSFLGO-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.99
Rot. Bonds5

About N-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide

N-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide (PubChem CID 24819128) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide
PubChem CID24819128
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC NameN-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NN=C(C)c2ccco2)cc1
InChIInChI=1S/C13H14N2O4S/c1-10(13-4-3-9-19-13)14-15-20(16,17)12-7-5-11(18-2)6-8-12/h3-9,15H,1-2H3
InChIKeyLQLZYPOYVSFLGO-UHFFFAOYSA-N
XLogP1.99
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide (CID 24819128) is N-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NN=C(C)c2ccco2)cc1.
What is the InChIKey of N-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide?
The InChIKey is LQLZYPOYVSFLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-10(13-4-3-9-19-13)14-15-20(16,17)12-7-5-11(18-2)6-8-12/h3-9,15H,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide?
N-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide has a molecular weight of 294.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethylideneamino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 24819128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).