N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide

C17H20N2O3S — CID 110517904

IUPACN-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
SMILESCCOc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C17H20N2O3S/c1-4-22-16-7-5-6-15(11-16)12-18-19-23(20,21)17-9-8-13(2)10-14(17)3/h5-12,19H,4H2,1-3H3/b18-12+
InChIKeyHEAUCKQUDMWBFA-LDADJPATSA-N
MW332.43 g/mol
LogP3.01
Rot. Bonds6

About N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide

N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide (PubChem CID 110517904) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
PubChem CID110517904
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
SMILESCCOc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C17H20N2O3S/c1-4-22-16-7-5-6-15(11-16)12-18-19-23(20,21)17-9-8-13(2)10-14(17)3/h5-12,19H,4H2,1-3H3/b18-12+
InChIKeyHEAUCKQUDMWBFA-LDADJPATSA-N
XLogP3.01
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-butoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517879
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517919
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517753
N-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517782
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
CID 2362958
2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
2,4-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]benzenesulfonamide
CID 110517932
2-methoxy-5-methyl-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110518057
4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908628
2,4-dimethyl-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110517867
[4-[(E)-[(2,4-dimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl] acetate
CID 110517864

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide (CID 110517904) is N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide is CCOc1cccc(/C=N/NS(=O)(=O)c2ccc(C)cc2C)c1.
What is the InChIKey of N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide?
The InChIKey is HEAUCKQUDMWBFA-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-4-22-16-7-5-6-15(11-16)12-18-19-23(20,21)17-9-8-13(2)10-14(17)3/h5-12,19H,4H2,1-3H3/b18-12+.
What are the key properties of N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide?
N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110517904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).