4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide

C15H17N3O3S — CID 5021011

IUPAC4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=C(C)c2cccnc2)cc1
InChIInChI=1S/C15H17N3O3S/c1-3-21-14-6-8-15(9-7-14)22(19,20)18-17-12(2)13-5-4-10-16-11-13/h4-11,18H,3H2,1-2H3
InChIKeyZNACFFGQSBRTKE-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.18
Rot. Bonds6

About 4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide

4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide (PubChem CID 5021011) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide
PubChem CID5021011
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NN=C(C)c2cccnc2)cc1
InChIInChI=1S/C15H17N3O3S/c1-3-21-14-6-8-15(9-7-14)22(19,20)18-17-12(2)13-5-4-10-16-11-13/h4-11,18H,3H2,1-2H3
InChIKeyZNACFFGQSBRTKE-UHFFFAOYSA-N
XLogP2.18
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide (CID 5021011) is 4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NN=C(C)c2cccnc2)cc1.
What is the InChIKey of 4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide?
The InChIKey is ZNACFFGQSBRTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-3-21-14-6-8-15(9-7-14)22(19,20)18-17-12(2)13-5-4-10-16-11-13/h4-11,18H,3H2,1-2H3.
What are the key properties of 4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide?
4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide has a molecular weight of 319.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(1-pyridin-3-ylethylideneamino)benzenesulfonamide is sourced from PubChem (CID 5021011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).