4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide

C19H23N3O3S — CID 3369038

IUPAC4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NCCc2cn3ccccc3n2)cc1
InChIInChI=1S/C19H23N3O3S/c1-2-3-14-25-17-7-9-18(10-8-17)26(23,24)20-12-11-16-15-22-13-5-4-6-19(22)21-16/h4-10,13,15,20H,2-3,11-12,14H2,1H3
InChIKeyGTUOWZIACYCUPG-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.03
Rot. Bonds9

About 4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide

4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 3369038) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide
PubChem CID3369038
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide
SMILESCCCCOc1ccc(S(=O)(=O)NCCc2cn3ccccc3n2)cc1
InChIInChI=1S/C19H23N3O3S/c1-2-3-14-25-17-7-9-18(10-8-17)26(23,24)20-12-11-16-15-22-13-5-4-6-19(22)21-16/h4-10,13,15,20H,2-3,11-12,14H2,1H3
InChIKeyGTUOWZIACYCUPG-UHFFFAOYSA-N
XLogP3.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide (CID 3369038) is 4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide is CCCCOc1ccc(S(=O)(=O)NCCc2cn3ccccc3n2)cc1.
What is the InChIKey of 4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is GTUOWZIACYCUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-2-3-14-25-17-7-9-18(10-8-17)26(23,24)20-12-11-16-15-22-13-5-4-6-19(22)21-16/h4-10,13,15,20H,2-3,11-12,14H2,1H3.
What are the key properties of 4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide?
4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3369038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).