N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide

C19H23N3O8S — CID 110517530

IUPACN-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
SMILESCCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N/NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23N3O8S/c1-5-29-17-11-18(30-6-2)15(22(23)24)9-13(17)12-20-21-31(25,26)14-7-8-16(27-3)19(10-14)28-4/h7-12,21H,5-6H2,1-4H3/b20-12+
InChIKeyFUBCDLXAQDJZKQ-UDWIEESQSA-N
MW453.47 g/mol
LogP2.72
Rot. Bonds11

About N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide

N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide (PubChem CID 110517530) has the molecular formula C19H23N3O8S and a molecular weight of 453.47 g/mol. Its IUPAC name is N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
PubChem CID110517530
Molecular FormulaC19H23N3O8S
Molecular Weight453.47 g/mol
Exact Mass453.12
IUPAC NameN-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
SMILESCCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N/NS(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23N3O8S/c1-5-29-17-11-18(30-6-2)15(22(23)24)9-13(17)12-20-21-31(25,26)14-7-8-16(27-3)19(10-14)28-4/h7-12,21H,5-6H2,1-4H3/b20-12+
InChIKeyFUBCDLXAQDJZKQ-UDWIEESQSA-N
XLogP2.72
TPSA138.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide 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

3,4-dimethoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 110517562
3,4-dimethoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517450
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516755
(NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide
CID 110518805
N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 3991034
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135958003
N-[(E)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 136873444
N-[(E)-(4-ethylphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517514
N-[(E)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-fluorobenzenesulfonamide
CID 110516378
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
3,4-dichloro-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516081
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517529

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide (CID 110517530) is N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide is CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N/NS(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is FUBCDLXAQDJZKQ-UDWIEESQSA-N. The full InChI is InChI=1S/C19H23N3O8S/c1-5-29-17-11-18(30-6-2)15(22(23)24)9-13(17)12-20-21-31(25,26)14-7-8-16(27-3)19(10-14)28-4/h7-12,21H,5-6H2,1-4H3/b20-12+.
What are the key properties of N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 453.47 g/mol, XLogP of 2.72, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110517530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).