N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide

C18H16N2O4S — CID 166521441

IUPACN-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide
SMILESCON=Cc1ccc(-c2ccco2)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H16N2O4S/c1-23-19-13-14-9-10-16(18-8-5-11-24-18)17(12-14)20-25(21,22)15-6-3-2-4-7-15/h2-13,20H,1H3
InChIKeyRHMFMJSTQKCVFR-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.73
Rot. Bonds6

About N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide

N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide (PubChem CID 166521441) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide
PubChem CID166521441
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide
SMILESCON=Cc1ccc(-c2ccco2)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H16N2O4S/c1-23-19-13-14-9-10-16(18-8-5-11-24-18)17(12-14)20-25(21,22)15-6-3-2-4-7-15/h2-13,20H,1H3
InChIKeyRHMFMJSTQKCVFR-UHFFFAOYSA-N
XLogP3.73
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.73
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-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide (CID 166521441) is N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide is CON=Cc1ccc(-c2ccco2)c(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide?
The InChIKey is RHMFMJSTQKCVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-23-19-13-14-9-10-16(18-8-5-11-24-18)17(12-14)20-25(21,22)15-6-3-2-4-7-15/h2-13,20H,1H3.
What are the key properties of N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide?
N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide has a molecular weight of 356.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-5-(methoxyiminomethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 166521441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).