4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide

C15H15N3O3S — CID 110734809

IUPAC4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3nccn3c2)cc1
InChIInChI=1S/C15H15N3O3S/c1-2-21-13-4-6-14(7-5-13)22(19,20)17-12-3-8-15-16-9-10-18(15)11-12/h3-11,17H,2H2,1H3
InChIKeyPKTJUOXKJSRXIT-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.53
Rot. Bonds5

About 4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide

4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide (PubChem CID 110734809) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide
PubChem CID110734809
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3nccn3c2)cc1
InChIInChI=1S/C15H15N3O3S/c1-2-21-13-4-6-14(7-5-13)22(19,20)17-12-3-8-15-16-9-10-18(15)11-12/h3-11,17H,2H2,1H3
InChIKeyPKTJUOXKJSRXIT-UHFFFAOYSA-N
XLogP2.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide (CID 110734809) is 4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc3nccn3c2)cc1.
What is the InChIKey of 4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide?
The InChIKey is PKTJUOXKJSRXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-2-21-13-4-6-14(7-5-13)22(19,20)17-12-3-8-15-16-9-10-18(15)11-12/h3-11,17H,2H2,1H3.
What are the key properties of 4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide?
4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-imidazo[1,2-a]pyridin-6-ylbenzenesulfonamide is sourced from PubChem (CID 110734809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).