5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

C24H19Cl2F3N2O4S — CID 57402300

IUPAC5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1cccnc12
InChIInChI=1S/C24H19Cl2F3N2O4S/c25-16-12-15(13-17(26)14-16)21-20-2-1-9-30-22(20)23(35-21)7-10-31(11-8-23)36(32,33)19-5-3-18(4-6-19)34-24(27,28)29/h1-6,9,12-14,21H,7-8,10-11H2
InChIKeyAXYFDQZWQQKJKV-UHFFFAOYSA-N
MW559.39 g/mol
LogP6.09
Rot. Bonds4

About 5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (PubChem CID 57402300) has the molecular formula C24H19Cl2F3N2O4S and a molecular weight of 559.39 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
PubChem CID57402300
Molecular FormulaC24H19Cl2F3N2O4S
Molecular Weight559.39 g/mol
Exact Mass558.04
IUPAC Name5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1cccnc12
InChIInChI=1S/C24H19Cl2F3N2O4S/c25-16-12-15(13-17(26)14-16)21-20-2-1-9-30-22(20)23(35-21)7-10-31(11-8-23)36(32,33)19-5-3-18(4-6-19)34-24(27,28)29/h1-6,9,12-14,21H,7-8,10-11H2
InChIKeyAXYFDQZWQQKJKV-UHFFFAOYSA-N
XLogP6.09
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.39
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] with MolForge

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Related Compounds

Benzodihydroisofuran derivative 1
CID 54577783
Benzodihydroisofuran derivative 2
CID 57393568
Benzodihydroisofuran derivative 3
CID 57404019
5-(4-chloropyridin-2-yl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 57395279
3-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]
CID 57397049
1-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
CID 57400492
7-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]
CID 57404020
1-(5-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57402298
1-pyridin-2-yl-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 71233565
(3-Chlorophenyl)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol
CID 162773063
N-[(6-chloropyridin-3-yl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine
CID 24811107
5-(3,5-dichlorophenyl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 54577560

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The IUPAC name of 5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (CID 57402300) is 5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].
What is the SMILES notation for 5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The canonical SMILES for 5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)OC(c1cc(Cl)cc(Cl)c1)c1cccnc12.
What is the InChIKey of 5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The InChIKey is AXYFDQZWQQKJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F3N2O4S/c25-16-12-15(13-17(26)14-16)21-20-2-1-9-30-22(20)23(35-21)7-10-31(11-8-23)36(32,33)19-5-3-18(4-6-19)34-24(27,28)29/h1-6,9,12-14,21H,7-8,10-11H2.
What are the key properties of 5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] has a molecular weight of 559.39 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-1'-[4-(trifluoromethoxy)phenyl]sulfonylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is sourced from PubChem (CID 57402300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).