N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide

C19H24N2O4S — CID 135818045

IUPACN,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C/N=C/c2cc(OC)ccc2O)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-21(5-2)26(23,24)18-9-6-15(7-10-18)13-20-14-16-12-17(25-3)8-11-19(16)22/h6-12,14,22H,4-5,13H2,1-3H3/b20-14+
InChIKeyBUAJPPBOYUTBDF-XSFVSMFZSA-N
MW376.48 g/mol
LogP3.05
Rot. Bonds8

About N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide

N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide (PubChem CID 135818045) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide
PubChem CID135818045
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C/N=C/c2cc(OC)ccc2O)cc1
InChIInChI=1S/C19H24N2O4S/c1-4-21(5-2)26(23,24)18-9-6-15(7-10-18)13-20-14-16-12-17(25-3)8-11-19(16)22/h6-12,14,22H,4-5,13H2,1-3H3/b20-14+
InChIKeyBUAJPPBOYUTBDF-XSFVSMFZSA-N
XLogP3.05
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide
CID 135757806
4-methoxy-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818085
4-methoxy-2-[(2-methylphenyl)methyliminomethyl]phenol
CID 135757890
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962
4-methoxy-2-(2-sulfanylethyliminomethyl)phenol
CID 137210775
3-(benzyliminomethyl)-4-hydroxybenzenesulfonic acid
CID 139241232
2-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]oxymethoxyiminomethyl]-4-methoxyphenol
CID 136914415
4-bromo-2-[(4-propoxyphenyl)methyliminomethyl]phenol
CID 135629562
2-[[(2R)-2-(diethylamino)-2-phenylethyl]iminomethyl]-4-methoxyphenol
CID 135758257
3-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 135597134
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 26423088

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide (CID 135818045) is N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C/N=C/c2cc(OC)ccc2O)cc1.
What is the InChIKey of N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide?
The InChIKey is BUAJPPBOYUTBDF-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-21(5-2)26(23,24)18-9-6-15(7-10-18)13-20-14-16-12-17(25-3)8-11-19(16)22/h6-12,14,22H,4-5,13H2,1-3H3/b20-14+.
What are the key properties of N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide?
N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[(2-hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide is sourced from PubChem (CID 135818045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).