3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine

C18H18FN3O2S — CID 23625764

IUPAC3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1cccc(F)c1)c1cn(C2CCCNC2)c2ncccc12
InChIInChI=1S/C18H18FN3O2S/c19-13-4-1-6-15(10-13)25(23,24)17-12-22(14-5-2-8-20-11-14)18-16(17)7-3-9-21-18/h1,3-4,6-7,9-10,12,14,20H,2,5,8,11H2
InChIKeyDOJKPUAGTKRXCL-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.93
Rot. Bonds3

About 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine

3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine (PubChem CID 23625764) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine
PubChem CID23625764
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1cccc(F)c1)c1cn(C2CCCNC2)c2ncccc12
InChIInChI=1S/C18H18FN3O2S/c19-13-4-1-6-15(10-13)25(23,24)17-12-22(14-5-2-8-20-11-14)18-16(17)7-3-9-21-18/h1,3-4,6-7,9-10,12,14,20H,2,5,8,11H2
InChIKeyDOJKPUAGTKRXCL-UHFFFAOYSA-N
XLogP2.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Way-208466
CID 10337743
Pyrrolopyrimidine 20
CID 23646632
N-(2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N-methylamine
CID 9950255
N,N-Dimethyl-N-{2-[3-(1-naphthylsulfonyl)-1Hpyrrolo[2,3-b]pyridin-1-yl]ethyl}amine
CID 10407367
N-(2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N-methylamine
CID 10449488
1-[4-(Benzenesulfonyl)phenyl]-3-(imidazo[1,2-a]pyridin-6-ylmethyl)urea
CID 66611076
N-[3-(benzenesulfonylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118868914
Pyrrolopyrimidine 16
CID 23646628
3-(Phenylsulfonyl)-1H-pyrrolo(2,3-b)pyridine
CID 22028181
Pyrrolopyrimidine 23
CID 23646635
6-Chloro-5-(1-pyrrolidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 44433193
6-Chloro-5-[1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 44433194

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine (CID 23625764) is 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine is O=S(=O)(c1cccc(F)c1)c1cn(C2CCCNC2)c2ncccc12.
What is the InChIKey of 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine?
The InChIKey is DOJKPUAGTKRXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c19-13-4-1-6-15(10-13)25(23,24)17-12-22(14-5-2-8-20-11-14)18-16(17)7-3-9-21-18/h1,3-4,6-7,9-10,12,14,20H,2,5,8,11H2.
What are the key properties of 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine?
3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine has a molecular weight of 359.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 23625764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).