4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide

C15H18N2O3S — CID 6471807

IUPAC4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1CC
InChIInChI=1S/C15H18N2O3S/c1-3-12-10-14(7-8-15(12)20-4-2)21(18,19)17-13-6-5-9-16-11-13/h5-11,17H,3-4H2,1-2H3
InChIKeyZWWIYXXWBLIQRI-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.84
Rot. Bonds6

About 4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide

4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 6471807) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID6471807
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1CC
InChIInChI=1S/C15H18N2O3S/c1-3-12-10-14(7-8-15(12)20-4-2)21(18,19)17-13-6-5-9-16-11-13/h5-11,17H,3-4H2,1-2H3
InChIKeyZWWIYXXWBLIQRI-UHFFFAOYSA-N
XLogP2.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide (CID 6471807) is 4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1CC.
What is the InChIKey of 4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is ZWWIYXXWBLIQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-12-10-14(7-8-15(12)20-4-2)21(18,19)17-13-6-5-9-16-11-13/h5-11,17H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide?
4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-ethyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 6471807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).