N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide

C17H20N2O5S — CID 162661349

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)/N=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H20N2O5S/c1-19(25(20,21)15-8-6-14(22-2)7-9-15)18-12-13-5-10-16(23-3)17(11-13)24-4/h5-12H,1-4H3/b18-12+
InChIKeyBTEWJTUTYCXHQU-LDADJPATSA-N
MW364.42 g/mol
LogP2.37
Rot. Bonds7

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide (PubChem CID 162661349) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide
PubChem CID162661349
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)/N=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C17H20N2O5S/c1-19(25(20,21)15-8-6-14(22-2)7-9-15)18-12-13-5-10-16(23-3)17(11-13)24-4/h5-12H,1-4H3/b18-12+
InChIKeyBTEWJTUTYCXHQU-LDADJPATSA-N
XLogP2.37
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
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'}

Analyze N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Veratraldehyde azine
CID 9566466
N'-(4-Methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 5331359
N'-[(1E)-(2,3,5-trimethoxyphenyl)methylene]benzenesulfonohydrazide
CID 5348459
N'-(4-ethoxy-3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 6871474
3,4-Dimethoxybenzaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)hydrazone
CID 9655392
N'-[(Z)-1,3-benzodioxol-5-ylmethylidene]-2,4-dimethylbenzenesulfonohydrazide
CID 25237236
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-fluorobenzenesulfonamide
CID 56642872
2-Ethoxy-4-[2-(phenylsulfonyl)carbohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6872794
2-Methoxy-4-[2-(phenylsulfonyl)carbonohydrazonoyl]phenyl 4-methylbenzenesulfonate
CID 6894276
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-1,1-dioxo-1,2-benzothiazol-3-amine
CID 6875435
N'-(1,3-benzodioxol-5-ylmethylene)-4-methoxybenzenesulfonohydrazide
CID 5407732
N'-[1-(3,4-dimethoxyphenyl)ethylidene]benzenesulfonohydrazide
CID 5411715

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide (CID 162661349) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)/N=C/c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide?
The InChIKey is BTEWJTUTYCXHQU-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-19(25(20,21)15-8-6-14(22-2)7-9-15)18-12-13-5-10-16(23-3)17(11-13)24-4/h5-12H,1-4H3/b18-12+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide has a molecular weight of 364.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 162661349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).