4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide

C17H17F3N4O3S — CID 46286451

IUPAC4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCn2c(C(F)(F)F)nc3cccnc32)cc1
InChIInChI=1S/C17H17F3N4O3S/c1-2-27-12-5-7-13(8-6-12)28(25,26)22-10-11-24-15-14(4-3-9-21-15)23-16(24)17(18,19)20/h3-9,22H,2,10-11H2,1H3
InChIKeyHEQLYEXUSBLUKM-UHFFFAOYSA-N
MW414.41 g/mol
LogP2.83
Rot. Bonds7

About 4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide

4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide (PubChem CID 46286451) has the molecular formula C17H17F3N4O3S and a molecular weight of 414.41 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
PubChem CID46286451
Molecular FormulaC17H17F3N4O3S
Molecular Weight414.41 g/mol
Exact Mass414.10
IUPAC Name4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCn2c(C(F)(F)F)nc3cccnc32)cc1
InChIInChI=1S/C17H17F3N4O3S/c1-2-27-12-5-7-13(8-6-12)28(25,26)22-10-11-24-15-14(4-3-9-21-15)23-16(24)17(18,19)20/h3-9,22H,2,10-11H2,1H3
InChIKeyHEQLYEXUSBLUKM-UHFFFAOYSA-N
XLogP2.83
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide (CID 46286451) is 4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCn2c(C(F)(F)F)nc3cccnc32)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The InChIKey is HEQLYEXUSBLUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3S/c1-2-27-12-5-7-13(8-6-12)28(25,26)22-10-11-24-15-14(4-3-9-21-15)23-16(24)17(18,19)20/h3-9,22H,2,10-11H2,1H3.
What are the key properties of 4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?
4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide has a molecular weight of 414.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 46286451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).