4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide

C17H20N4O3S — CID 53021048

IUPAC4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
SMILESCCCn1c(CNS(=O)(=O)c2ccc(OC)cc2)nc2cccnc21
InChIInChI=1S/C17H20N4O3S/c1-3-11-21-16(20-15-5-4-10-18-17(15)21)12-19-25(22,23)14-8-6-13(24-2)7-9-14/h4-10,19H,3,11-12H2,1-2H3
InChIKeyHHYOBQCEQHEDNH-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.33
Rot. Bonds7

About 4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide

4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide (PubChem CID 53021048) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
PubChem CID53021048
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
SMILESCCCn1c(CNS(=O)(=O)c2ccc(OC)cc2)nc2cccnc21
InChIInChI=1S/C17H20N4O3S/c1-3-11-21-16(20-15-5-4-10-18-17(15)21)12-19-25(22,23)14-8-6-13(24-2)7-9-14/h4-10,19H,3,11-12H2,1-2H3
InChIKeyHHYOBQCEQHEDNH-UHFFFAOYSA-N
XLogP2.33
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide (CID 53021048) is 4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide is CCCn1c(CNS(=O)(=O)c2ccc(OC)cc2)nc2cccnc21.
What is the InChIKey of 4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
The InChIKey is HHYOBQCEQHEDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-3-11-21-16(20-15-5-4-10-18-17(15)21)12-19-25(22,23)14-8-6-13(24-2)7-9-14/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of 4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide?
4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 53021048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).