4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide

C14H15N3O2S — CID 27484544

IUPAC4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NN=Cc2cccnc2)cc1
InChIInChI=1S/C14H15N3O2S/c1-2-12-5-7-14(8-6-12)20(18,19)17-16-11-13-4-3-9-15-10-13/h3-11,17H,2H2,1H3
InChIKeyUSPARWHIVBVPAN-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.96
Rot. Bonds5

About 4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide

4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide (PubChem CID 27484544) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide
PubChem CID27484544
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NN=Cc2cccnc2)cc1
InChIInChI=1S/C14H15N3O2S/c1-2-12-5-7-14(8-6-12)20(18,19)17-16-11-13-4-3-9-15-10-13/h3-11,17H,2H2,1H3
InChIKeyUSPARWHIVBVPAN-UHFFFAOYSA-N
XLogP1.96
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide (CID 27484544) is 4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide is CCc1ccc(S(=O)(=O)NN=Cc2cccnc2)cc1.
What is the InChIKey of 4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide?
The InChIKey is USPARWHIVBVPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-2-12-5-7-14(8-6-12)20(18,19)17-16-11-13-4-3-9-15-10-13/h3-11,17H,2H2,1H3.
What are the key properties of 4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide?
4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(pyridin-3-ylmethylideneamino)benzenesulfonamide is sourced from PubChem (CID 27484544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).