4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide

C18H22N2O4S — CID 4279962

IUPAC4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=C(C)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-9-11-18(12-10-17)25(21,22)20-19-14(2)13-15-5-7-16(23-3)8-6-15/h5-12,20H,4,13H2,1-3H3
InChIKeyFLBUEFCBDKWYKN-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.99
Rot. Bonds8

About 4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide

4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide (PubChem CID 4279962) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide
PubChem CID4279962
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=C(C)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-4-24-17-9-11-18(12-10-17)25(21,22)20-19-14(2)13-15-5-7-16(23-3)8-6-15/h5-12,20H,4,13H2,1-3H3
InChIKeyFLBUEFCBDKWYKN-UHFFFAOYSA-N
XLogP2.99
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.99
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

2-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 4060518
4-ethoxy-N-(5-methylhexan-2-ylideneamino)benzenesulfonamide
CID 3450760
4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide
CID 9078161
4-bromo-N-[(Z)-4-(4-methoxyphenyl)butan-2-ylideneamino]benzenesulfonamide
CID 9120965
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
4-ethoxy-N-[(Z)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 135624789

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide (CID 4279962) is 4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NN=C(C)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide?
The InChIKey is FLBUEFCBDKWYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-24-17-9-11-18(12-10-17)25(21,22)20-19-14(2)13-15-5-7-16(23-3)8-6-15/h5-12,20H,4,13H2,1-3H3.
What are the key properties of 4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide?
4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzenesulfonamide is sourced from PubChem (CID 4279962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).