3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine

C21H22ClN3O2S — CID 71840198

IUPAC3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine
SMILESCCCn1cc(C2=CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2cccnc21
InChIInChI=1S/C21H22ClN3O2S/c1-2-11-24-15-20(19-7-4-10-23-21(19)24)16-8-12-25(13-9-16)28(26,27)18-6-3-5-17(22)14-18/h3-8,10,14-15H,2,9,11-13H2,1H3
InChIKeySDNOBZCCCKHHAB-UHFFFAOYSA-N
MW415.95 g/mol
LogP4.58
Rot. Bonds5

About 3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine

3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine (PubChem CID 71840198) has the molecular formula C21H22ClN3O2S and a molecular weight of 415.95 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine
PubChem CID71840198
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.95 g/mol
Exact Mass415.11
IUPAC Name3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine
SMILESCCCn1cc(C2=CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2cccnc21
InChIInChI=1S/C21H22ClN3O2S/c1-2-11-24-15-20(19-7-4-10-23-21(19)24)16-8-12-25(13-9-16)28(26,27)18-6-3-5-17(22)14-18/h3-8,10,14-15H,2,9,11-13H2,1H3
InChIKeySDNOBZCCCKHHAB-UHFFFAOYSA-N
XLogP4.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-3-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine
CID 71840187
3-[1-(3-chloro-4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-ethylpyrrolo[2,3-b]pyridine
CID 71840233
3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine
CID 71840197
3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
CID 53161189
3-[1-(2,5-difluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
CID 53161192
N-cyclohexyl-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161214
N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161211
3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrrolo[2,3-b]pyridine
CID 53174138
3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 31843281
3-[2-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1-ethylpyrrolo[2,3-b]pyridine
CID 53145518
3-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 24627233
1-butyl-N-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174225

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine (CID 71840198) is 3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine is CCCn1cc(C2=CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2cccnc21.
What is the InChIKey of 3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine?
The InChIKey is SDNOBZCCCKHHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2S/c1-2-11-24-15-20(19-7-4-10-23-21(19)24)16-8-12-25(13-9-16)28(26,27)18-6-3-5-17(22)14-18/h3-8,10,14-15H,2,9,11-13H2,1H3.
What are the key properties of 3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine?
3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine has a molecular weight of 415.95 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71840198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).