4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide

C18H22N2O3S — CID 9078161

IUPAC4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-15-6-8-16(9-7-15)14(3)19-20-24(21,22)18-12-10-17(11-13-18)23-5-2/h6-13,20H,4-5H2,1-3H3/b19-14-
InChIKeyPIJJXIIWJIOMRP-RGEXLXHISA-N
MW346.45 g/mol
LogP3.35
Rot. Bonds7

About 4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide

4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide (PubChem CID 9078161) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide
PubChem CID9078161
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-15-6-8-16(9-7-15)14(3)19-20-24(21,22)18-12-10-17(11-13-18)23-5-2/h6-13,20H,4-5H2,1-3H3/b19-14-
InChIKeyPIJJXIIWJIOMRP-RGEXLXHISA-N
XLogP3.35
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.35
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

4-[(Z)-N-[(4-ethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 29354790
4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide
CID 4279962
4-ethoxy-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzenesulfonamide
CID 9212611
ethyl 5-[N-[(4-ethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 5179469
4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide
CID 3450760
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-ethoxybenzenesulfonamide
CID 135683893
1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
CID 18428768
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-ethylbenzenesulfonamide
CID 135647665
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
4-bromo-N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]benzenesulfonamide
CID 3885165
1-(4-ethoxyphenyl)ethylidenehydrazine
CID 937394
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide (CID 9078161) is 4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(CC)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is PIJJXIIWJIOMRP-RGEXLXHISA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-15-6-8-16(9-7-15)14(3)19-20-24(21,22)18-12-10-17(11-13-18)23-5-2/h6-13,20H,4-5H2,1-3H3/b19-14-.
What are the key properties of 4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide?
4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 9078161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).