2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide

C18H22N2O5S — CID 6907840

IUPAC2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)c(OC)c1OC
InChIInChI=1S/C18H22N2O5S/c1-12-6-7-13(2)16(10-12)26(21,22)20-19-11-14-8-9-15(23-3)18(25-5)17(14)24-4/h6-11,20H,1-5H3/b19-11+
InChIKeyMCLZYUJTKCGSBI-YBFXNURJSA-N
MW378.45 g/mol
LogP2.64
Rot. Bonds7

About 2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide

2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 6907840) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID6907840
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)c(OC)c1OC
InChIInChI=1S/C18H22N2O5S/c1-12-6-7-13(2)16(10-12)26(21,22)20-19-11-14-8-9-15(23-3)18(25-5)17(14)24-4/h6-11,20H,1-5H3/b19-11+
InChIKeyMCLZYUJTKCGSBI-YBFXNURJSA-N
XLogP2.64
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 9231622
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110518068
N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 4017599
4-bromo-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2590678
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 94639542
4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643188
2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
2,5-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 6892667
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 136807805
[4-[[(2,5-dimethylphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl] pyridine-3-carboxylate
CID 2643303

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide (CID 6907840) is 2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide is COc1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)c(OC)c1OC.
What is the InChIKey of 2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is MCLZYUJTKCGSBI-YBFXNURJSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-12-6-7-13(2)16(10-12)26(21,22)20-19-11-14-8-9-15(23-3)18(25-5)17(14)24-4/h6-11,20H,1-5H3/b19-11+.
What are the key properties of 2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 378.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6907840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).