4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide

C17H16N2O4S — CID 3851056

IUPAC4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(/N=C/c2oc(O)c3ccccc23)cc1
InChIInChI=1S/C17H16N2O4S/c1-19(2)24(21,22)13-9-7-12(8-10-13)18-11-16-14-5-3-4-6-15(14)17(20)23-16/h3-11,20H,1-2H3/b18-11+
InChIKeyMAMMUUGAUYXQTB-WOJGMQOQSA-N
MW344.39 g/mol
LogP3.14
Rot. Bonds4

About 4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide

4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 3851056) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide
PubChem CID3851056
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(/N=C/c2oc(O)c3ccccc23)cc1
InChIInChI=1S/C17H16N2O4S/c1-19(2)24(21,22)13-9-7-12(8-10-13)18-11-16-14-5-3-4-6-15(14)17(20)23-16/h3-11,20H,1-2H3/b18-11+
InChIKeyMAMMUUGAUYXQTB-WOJGMQOQSA-N
XLogP3.14
TPSA83.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide (CID 3851056) is 4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(/N=C/c2oc(O)c3ccccc23)cc1.
What is the InChIKey of 4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is MAMMUUGAUYXQTB-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-19(2)24(21,22)13-9-7-12(8-10-13)18-11-16-14-5-3-4-6-15(14)17(20)23-16/h3-11,20H,1-2H3/b18-11+.
What are the key properties of 4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide?
4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 3851056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).