5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide

C18H22N2O4S — CID 135758646

IUPAC5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide
SMILESCCCOc1ccc(/C=N/c2ccc(C)c(S(=O)(=O)NC)c2)c(O)c1
InChIInChI=1S/C18H22N2O4S/c1-4-9-24-16-8-6-14(17(21)11-16)12-20-15-7-5-13(2)18(10-15)25(22,23)19-3/h5-8,10-12,19,21H,4,9H2,1-3H3/b20-12+
InChIKeyLWJGKHNALSDWGI-UDWIEESQSA-N
MW362.45 g/mol
LogP3.15
Rot. Bonds7

About 5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide

5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide (PubChem CID 135758646) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide
PubChem CID135758646
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide
SMILESCCCOc1ccc(/C=N/c2ccc(C)c(S(=O)(=O)NC)c2)c(O)c1
InChIInChI=1S/C18H22N2O4S/c1-4-9-24-16-8-6-14(17(21)11-16)12-20-15-7-5-13(2)18(10-15)25(22,23)19-3/h5-8,10-12,19,21H,4,9H2,1-3H3/b20-12+
InChIKeyLWJGKHNALSDWGI-UDWIEESQSA-N
XLogP3.15
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-fluoro-4-methylphenyl)iminomethyl]-5-propoxyphenol
CID 135720913
5-butoxy-2-[[4-[(4-butoxy-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 136722310
2-[(4-ethylphenyl)iminomethyl]-5-propoxyphenol
CID 135699896
3-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N-methylbenzamide
CID 135758541
5-propoxy-2-[(4-propylphenyl)iminomethyl]phenol
CID 137158267
2-[(4-nitrophenyl)iminomethyl]-5-propoxyphenol
CID 135609186
2-[[4-[(2-hydroxy-4-octadecoxyphenyl)methylideneamino]phenyl]iminomethyl]-5-octadecoxyphenol
CID 136722312
2-(1,3-benzodioxol-5-yliminomethyl)-5-propoxyphenol
CID 135787703
2-[(4-hexoxyphenyl)iminomethyl]-5-octoxyphenol
CID 136805582
2-[[4-[11-[4-[(2-hydroxy-4-octoxyphenyl)methylideneamino]phenoxy]undecoxy]phenyl]iminomethyl]-5-octoxyphenol
CID 136872509
2-[(4-octoxyphenyl)iminomethyl]-5-pentoxyphenol
CID 136805594
5-butoxy-2-[(4-iodophenyl)iminomethyl]phenol
CID 136903559

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide (CID 135758646) is 5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide is CCCOc1ccc(/C=N/c2ccc(C)c(S(=O)(=O)NC)c2)c(O)c1.
What is the InChIKey of 5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide?
The InChIKey is LWJGKHNALSDWGI-UDWIEESQSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-9-24-16-8-6-14(17(21)11-16)12-20-15-7-5-13(2)18(10-15)25(22,23)19-3/h5-8,10-12,19,21H,4,9H2,1-3H3/b20-12+.
What are the key properties of 5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide?
5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 135758646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).