4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C18H17N3O5S — CID 4545791

IUPAC4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCOc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1O
InChIInChI=1S/C18H17N3O5S/c1-12-10-17(20-26-12)21-27(23,24)15-8-6-14(7-9-15)19-11-13-4-3-5-16(25-2)18(13)22/h3-11,22H,1-2H3,(H,20,21)/b19-11+
InChIKeyALNUPNKXHYMYMP-YBFXNURJSA-N
MW387.42 g/mol
LogP3.25
Rot. Bonds6

About 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 4545791) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID4545791
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCOc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1O
InChIInChI=1S/C18H17N3O5S/c1-12-10-17(20-26-12)21-27(23,24)15-8-6-14(7-9-15)19-11-13-4-3-5-16(25-2)18(13)22/h3-11,22H,1-2H3,(H,20,21)/b19-11+
InChIKeyALNUPNKXHYMYMP-YBFXNURJSA-N
XLogP3.25
TPSA114.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.25
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

4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
2,6-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1181025
2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol
CID 135424005
4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
CID 135860245
1-(2-methoxyphenyl)-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
CID 25046157
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
CID 137256616
2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
CID 135774276
4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
CID 28589297
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
CID 135692926

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 4545791) is 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is COc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1O.
What is the InChIKey of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is ALNUPNKXHYMYMP-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-12-10-17(20-26-12)21-27(23,24)15-8-6-14(7-9-15)19-11-13-4-3-5-16(25-2)18(13)22/h3-11,22H,1-2H3,(H,20,21)/b19-11+.
What are the key properties of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 387.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 4545791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).