(NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide

C14H13NO4S — CID 59445840

IUPAC(NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C/C=C/c2ccco2)cc1
InChIInChI=1S/C14H13NO4S/c1-18-12-6-8-14(9-7-12)20(16,17)15-10-2-4-13-5-3-11-19-13/h2-11H,1H3/b4-2+,15-10+
InChIKeyWNGODMVDULVYFI-NYGWLLIDSA-N
MW291.33 g/mol
LogP2.76
Rot. Bonds5

About (NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide

(NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide (PubChem CID 59445840) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is (NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide
PubChem CID59445840
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name(NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C/C=C/c2ccco2)cc1
InChIInChI=1S/C14H13NO4S/c1-18-12-6-8-14(9-7-12)20(16,17)15-10-2-4-13-5-3-11-19-13/h2-11H,1H3/b4-2+,15-10+
InChIKeyWNGODMVDULVYFI-NYGWLLIDSA-N
XLogP2.76
TPSA68.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide?
The IUPAC name of (NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide (CID 59445840) is (NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide.
What is the SMILES notation for (NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide?
The canonical SMILES for (NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)/N=C/C=C/c2ccco2)cc1.
What is the InChIKey of (NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide?
The InChIKey is WNGODMVDULVYFI-NYGWLLIDSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-18-12-6-8-14(9-7-12)20(16,17)15-10-2-4-13-5-3-11-19-13/h2-11H,1H3/b4-2+,15-10+.
What are the key properties of (NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide?
(NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide has a molecular weight of 291.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 59445840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).