4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

C19H17N3O4S — CID 135860245

IUPAC4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(O)c1
InChIInChI=1S/C19H17N3O4S/c1-26-16-8-5-14(18(23)12-16)13-21-15-6-9-17(10-7-15)27(24,25)22-19-4-2-3-11-20-19/h2-13,23H,1H3,(H,20,22)/b21-13+
InChIKeyKEORAKRPITXBCK-FYJGNVAPSA-N
MW383.43 g/mol
LogP3.35
Rot. Bonds6

About 4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 135860245) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID135860245
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(O)c1
InChIInChI=1S/C19H17N3O4S/c1-26-16-8-5-14(18(23)12-16)13-21-15-6-9-17(10-7-15)27(24,25)22-19-4-2-3-11-20-19/h2-13,23H,1H3,(H,20,22)/b21-13+
InChIKeyKEORAKRPITXBCK-FYJGNVAPSA-N
XLogP3.35
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide
CID 5060385
3-(2,4-dimethoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 5044633
4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
CID 21212200
4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
CID 135692926
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 4545791
4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 72735611
4-[(4-hydroxy-3-propanoylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 167078695
2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl](14C)benzoic acid
CID 136795422
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
CID 171977564
2-(4-methoxyphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 1078187
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 3878914
2-[4-(pyridin-2-ylsulfamoyl)phenoxy]acetic acid
CID 43132249

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (CID 135860245) is 4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is COc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(O)c1.
What is the InChIKey of 4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is KEORAKRPITXBCK-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-26-16-8-5-14(18(23)12-16)13-21-15-6-9-17(10-7-15)27(24,25)22-19-4-2-3-11-20-19/h2-13,23H,1H3,(H,20,22)/b21-13+.
What are the key properties of 4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 383.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 135860245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).