4-ethoxy-N-pyridin-3-ylbenzenesulfonamide

C13H14N2O3S — CID 729504

IUPAC4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C13H14N2O3S/c1-2-18-12-5-7-13(8-6-12)19(16,17)15-11-4-3-9-14-10-11/h3-10,15H,2H2,1H3
InChIKeyOMJTYZGZLCBXTA-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.28
Rot. Bonds5

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

4-ethoxy-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 729504) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-ethoxy-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
PubChem CID729504
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1
InChIInChI=1S/C13H14N2O3S/c1-2-18-12-5-7-13(8-6-12)19(16,17)15-11-4-3-9-14-10-11/h3-10,15H,2H2,1H3
InChIKeyOMJTYZGZLCBXTA-UHFFFAOYSA-N
XLogP2.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-pyridin-3-ylbenzenesulfonamide (CID 729504) is 4-ethoxy-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-pyridin-3-ylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-ethoxy-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is OMJTYZGZLCBXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-2-18-12-5-7-13(8-6-12)19(16,17)15-11-4-3-9-14-10-11/h3-10,15H,2H2,1H3.
What are the key properties of 4-ethoxy-N-pyridin-3-ylbenzenesulfonamide?
4-ethoxy-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 729504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).