5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide

C22H22N2O6S — CID 4850531

IUPAC5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(/N=C/c3cc(OC)ccc3O)ccc2OC)cc1
InChIInChI=1S/C22H22N2O6S/c1-28-18-7-4-16(5-8-18)24-31(26,27)22-13-17(6-11-21(22)30-3)23-14-15-12-19(29-2)9-10-20(15)25/h4-14,24-25H,1-3H3/b23-14+
InChIKeyRTWJAQIRNSKSCX-OEAKJJBVSA-N
MW442.49 g/mol
LogP3.97
Rot. Bonds8

About 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide

5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 4850531) has the molecular formula C22H22N2O6S and a molecular weight of 442.49 g/mol. Its IUPAC name is 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID4850531
Molecular FormulaC22H22N2O6S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC Name5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(/N=C/c3cc(OC)ccc3O)ccc2OC)cc1
InChIInChI=1S/C22H22N2O6S/c1-28-18-7-4-16(5-8-18)24-31(26,27)22-13-17(6-11-21(22)30-3)23-14-15-12-19(29-2)9-10-20(15)25/h4-14,24-25H,1-3H3/b23-14+
InChIKeyRTWJAQIRNSKSCX-OEAKJJBVSA-N
XLogP3.97
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(2-hydroxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 135690835
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide
CID 135757806
5-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 135758621
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol
CID 135855363
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 46518710
2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 24662891
2-chloro-5-[(2-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 135690830
dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595457
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide (CID 4850531) is 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(/N=C/c3cc(OC)ccc3O)ccc2OC)cc1.
What is the InChIKey of 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is RTWJAQIRNSKSCX-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H22N2O6S/c1-28-18-7-4-16(5-8-18)24-31(26,27)22-13-17(6-11-21(22)30-3)23-14-15-12-19(29-2)9-10-20(15)25/h4-14,24-25H,1-3H3/b23-14+.
What are the key properties of 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide?
5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 442.49 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 4850531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).