4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide

C17H20N2O4S — CID 2643189

IUPAC4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=Cc2ccccc2OCC)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-22-15-9-11-16(12-10-15)24(20,21)19-18-13-14-7-5-6-8-17(14)23-4-2/h5-13,19H,3-4H2,1-2H3
InChIKeyPVQNBKVXBTWWKI-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.80
Rot. Bonds8

About 4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide

4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 2643189) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID2643189
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=Cc2ccccc2OCC)cc1
InChIInChI=1S/C17H20N2O4S/c1-3-22-15-9-11-16(12-10-15)24(20,21)19-18-13-14-7-5-6-8-17(14)23-4-2/h5-13,19H,3-4H2,1-2H3
InChIKeyPVQNBKVXBTWWKI-UHFFFAOYSA-N
XLogP2.80
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
4-ethoxy-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516667
N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 6116874
4-ethoxy-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 110516688
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135958060
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2551534
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516755
4-ethoxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643188
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 3991034
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110509597
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 6908616

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide (CID 2643189) is 4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NN=Cc2ccccc2OCC)cc1.
What is the InChIKey of 4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is PVQNBKVXBTWWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-3-22-15-9-11-16(12-10-15)24(20,21)19-18-13-14-7-5-6-8-17(14)23-4-2/h5-13,19H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide?
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 2643189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).