4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide

C14H16N2O4S — CID 5412310

IUPAC4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(C)o2)cc1
InChIInChI=1S/C14H16N2O4S/c1-10-4-9-14(20-10)11(2)15-16-21(17,18)13-7-5-12(19-3)6-8-13/h4-9,16H,1-3H3/b15-11-
InChIKeyNSQVHTXRHZUJEI-PTNGSMBKSA-N
MW308.36 g/mol
LogP2.30
Rot. Bonds5

About 4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide

4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide (PubChem CID 5412310) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide
PubChem CID5412310
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(C)o2)cc1
InChIInChI=1S/C14H16N2O4S/c1-10-4-9-14(20-10)11(2)15-16-21(17,18)13-7-5-12(19-3)6-8-13/h4-9,16H,1-3H3/b15-11-
InChIKeyNSQVHTXRHZUJEI-PTNGSMBKSA-N
XLogP2.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.30
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 4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide (CID 5412310) is 4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(C)o2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide?
The InChIKey is NSQVHTXRHZUJEI-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-10-4-9-14(20-10)11(2)15-16-21(17,18)13-7-5-12(19-3)6-8-13/h4-9,16H,1-3H3/b15-11-.
What are the key properties of 4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide?
4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 5412310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).