3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide

C14H16N2O5S — CID 110517456

IUPAC3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2ccc(C)o2)cc1OC
InChIInChI=1S/C14H16N2O5S/c1-10-4-5-11(21-10)9-15-16-22(17,18)12-6-7-13(19-2)14(8-12)20-3/h4-9,16H,1-3H3/b15-9+
InChIKeyJUCYDSAPTIXYEF-OQLLNIDSSA-N
MW324.36 g/mol
LogP1.92
Rot. Bonds6

About 3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide

3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 110517456) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
PubChem CID110517456
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Name3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2ccc(C)o2)cc1OC
InChIInChI=1S/C14H16N2O5S/c1-10-4-5-11(21-10)9-15-16-22(17,18)12-6-7-13(19-2)14(8-12)20-3/h4-9,16H,1-3H3/b15-9+
InChIKeyJUCYDSAPTIXYEF-OQLLNIDSSA-N
XLogP1.92
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 110516073
3,4-dimethoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517450
N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517514
3,4-dimethoxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517554
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135873358
N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide
CID 842355
3,4-dimethoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 110517562
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517434
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135958003
(E)-N-(3,4-dimethoxyphenyl)sulfonyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75401971
3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 110517561
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517529

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide (CID 110517456) is 3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C/c2ccc(C)o2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is JUCYDSAPTIXYEF-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-10-4-5-11(21-10)9-15-16-22(17,18)12-6-7-13(19-2)14(8-12)20-3/h4-9,16H,1-3H3/b15-9+.
What are the key properties of 3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide?
3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 324.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110517456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).