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

C18H19F3N4O2S — CID 50762290

IUPAC4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCn2c(C(F)(F)F)nc3cccnc32)cc1
InChIInChI=1S/C18H19F3N4O2S/c1-2-4-13-6-8-14(9-7-13)28(26,27)23-11-12-25-16-15(5-3-10-22-16)24-17(25)18(19,20)21/h3,5-10,23H,2,4,11-12H2,1H3
InChIKeyGBHKLOTYOBBLEA-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.38
Rot. Bonds7

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

4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide (PubChem CID 50762290) has the molecular formula C18H19F3N4O2S and a molecular weight of 412.44 g/mol. Its IUPAC name is 4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
PubChem CID50762290
Molecular FormulaC18H19F3N4O2S
Molecular Weight412.44 g/mol
Exact Mass412.12
IUPAC Name4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCn2c(C(F)(F)F)nc3cccnc32)cc1
InChIInChI=1S/C18H19F3N4O2S/c1-2-4-13-6-8-14(9-7-13)28(26,27)23-11-12-25-16-15(5-3-10-22-16)24-17(25)18(19,20)21/h3,5-10,23H,2,4,11-12H2,1H3
InChIKeyGBHKLOTYOBBLEA-UHFFFAOYSA-N
XLogP3.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 53022481
5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide
CID 46286443
N-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methyl]-4-propylbenzenesulfonamide
CID 53021069
N-[4-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethylsulfamoyl]phenyl]acetamide
CID 50762311
4-chloro-N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 46286416
3-chloro-4-methyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
CID 53085012
4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3704165
4-chloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53021046
1-butan-2-yl-3-[3-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]propyl]urea
CID 46331591
3-[2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 20955853
3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 53021801
1-(2-methylphenyl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53019866

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide (CID 50762290) is 4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCn2c(C(F)(F)F)nc3cccnc32)cc1.
What is the InChIKey of 4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?
The InChIKey is GBHKLOTYOBBLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2S/c1-2-4-13-6-8-14(9-7-13)28(26,27)23-11-12-25-16-15(5-3-10-22-16)24-17(25)18(19,20)21/h3,5-10,23H,2,4,11-12H2,1H3.
What are the key properties of 4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide?
4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide has a molecular weight of 412.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 50762290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).