4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine

C23H29Cl2N3O5S2 — CID 66755190

IUPAC4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine
SMILESO=S(=O)(CCCC1CCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C23H29Cl2N3O5S2/c24-18-5-6-23(22(25)17-18)35(31,32)28-13-1-3-19(28)4-2-16-34(29,30)27-14-9-21(10-15-27)33-20-7-11-26-12-8-20/h5-8,11-12,17,19,21H,1-4,9-10,13-16H2
InChIKeyOGRDDOJHWUEVLY-UHFFFAOYSA-N
MW562.54 g/mol
LogP4.19
Rot. Bonds9

About 4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine

4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine (PubChem CID 66755190) has the molecular formula C23H29Cl2N3O5S2 and a molecular weight of 562.54 g/mol. Its IUPAC name is 4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine
PubChem CID66755190
Molecular FormulaC23H29Cl2N3O5S2
Molecular Weight562.54 g/mol
Exact Mass561.09
IUPAC Name4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine
SMILESO=S(=O)(CCCC1CCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C23H29Cl2N3O5S2/c24-18-5-6-23(22(25)17-18)35(31,32)28-13-1-3-19(28)4-2-16-34(29,30)27-14-9-21(10-15-27)33-20-7-11-26-12-8-20/h5-8,11-12,17,19,21H,1-4,9-10,13-16H2
InChIKeyOGRDDOJHWUEVLY-UHFFFAOYSA-N
XLogP4.19
TPSA96.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[3-[(2S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine
CID 59367785
(1S,5S)-8-[1-[3-[(2S)-1-(2-chloro-6-methylphenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]azetidin-3-yl]-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 46203068
(1R,5R)-3-pyridin-4-yloxy-8-[3-[(2S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]propylsulfonyl]-8-azabicyclo[3.2.1]octane
CID 46206286
4-[1-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine
CID 66755086
(1S,5R)-8-[1-[3-[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]azetidin-3-yl]-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 68602953
(1R,5S)-8-[3-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]propylsulfonyl]-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 59367745
4-[1-[3-[(2R,4S)-4-fluoro-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine
CID 59367720
2-(3-bromopropyl)-1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 80674869
1-[3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)propylsulfonyl]-4-pyridin-4-ylpiperazine
CID 68603377
3-[3-[1-(4-methylnaphthalen-1-yl)sulfonylpyrrolidin-2-yl]propylsulfonyl]-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 66754387
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanol
CID 60956507
3-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 54882929

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine?
The IUPAC name of 4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine (CID 66755190) is 4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine.
What is the SMILES notation for 4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine?
The canonical SMILES for 4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine is O=S(=O)(CCCC1CCCN1S(=O)(=O)c1ccc(Cl)cc1Cl)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of 4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine?
The InChIKey is OGRDDOJHWUEVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N3O5S2/c24-18-5-6-23(22(25)17-18)35(31,32)28-13-1-3-19(28)4-2-16-34(29,30)27-14-9-21(10-15-27)33-20-7-11-26-12-8-20/h5-8,11-12,17,19,21H,1-4,9-10,13-16H2.
What are the key properties of 4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine?
4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine has a molecular weight of 562.54 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]propylsulfonyl]piperidin-4-yl]oxypyridine is sourced from PubChem (CID 66755190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).