5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one

C89H89ClF4N2O19S5 — CID 161196545

IUPAC5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one
SMILESCC(C)CC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O.CC[C@@]1(C)OC(=O)C(c2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1.CC[C@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(C2=C(c3cc(F)cc(F)c3)C(=O)OC2)cc1.Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C20H18F2O4S.C18H15ClN2O2S.C17H12F2O4S.C17H22O5S.C17H22O4S/c1-4-20(2)18(12-5-8-14(9-6-12)27(3,24)25)17(19(23)26-20)13-7-10-15(21)16(22)11-13;1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23;1-24(21,22)14-4-2-10(3-5-14)15-9-23-17(20)16(15)11-6-12(18)8-13(19)7-11;1-6-17(4)14(15(16(18)22-17)21-11(2)3)12-7-9-13(10-8-12)23(5,19)20;1-11(2)10-14-15(17(3,4)21-16(14)18)12-6-8-13(9-7-12)22(5,19)20/h5-11H,4H2,1-3H3;3-11H,1-2H3;2-8H,9H2,1H3;7-11H,6H2,1-5H3;6-9,11H,10H2,1-5H3/t20-;;;17-;/m1..0./s1
InChIKeyUUKNORWAPPCESZ-LNAGCUCGSA-N
MW1762.47 g/mol
LogP17.19
Rot. Bonds19

About 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one

5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one (PubChem CID 161196545) has the molecular formula C89H89ClF4N2O19S5 and a molecular weight of 1762.47 g/mol. Its IUPAC name is 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one.

Molecular Properties

Compound Name5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one
PubChem CID161196545
Molecular FormulaC89H89ClF4N2O19S5
Molecular Weight1762.47 g/mol
Exact Mass1760.43
IUPAC Name5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one
SMILESCC(C)CC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O.CC[C@@]1(C)OC(=O)C(c2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1.CC[C@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(C2=C(c3cc(F)cc(F)c3)C(=O)OC2)cc1.Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C20H18F2O4S.C18H15ClN2O2S.C17H12F2O4S.C17H22O5S.C17H22O4S/c1-4-20(2)18(12-5-8-14(9-6-12)27(3,24)25)17(19(23)26-20)13-7-10-15(21)16(22)11-13;1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23;1-24(21,22)14-4-2-10(3-5-14)15-9-23-17(20)16(15)11-6-12(18)8-13(19)7-11;1-6-17(4)14(15(16(18)22-17)21-11(2)3)12-7-9-13(10-8-12)23(5,19)20;1-11(2)10-14-15(17(3,4)21-16(14)18)12-6-8-13(9-7-12)22(5,19)20/h5-11H,4H2,1-3H3;3-11H,1-2H3;2-8H,9H2,1H3;7-11H,6H2,1-5H3;6-9,11H,10H2,1-5H3/t20-;;;17-;/m1..0./s1
InChIKeyUUKNORWAPPCESZ-LNAGCUCGSA-N
XLogP17.19
TPSA310.91 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001762.47
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one with MolForge

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Related Compounds

sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(Z)-2-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-4-oxopent-2-enoic acid;3-(2-cyclopropylethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxy-2H-furan-2-ol;5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one;5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-propoxyfuran-2-one;5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-(1,3-thiazol-2-ylmethoxy)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one
CID 160939391
5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one
CID 69338057
3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one
CID 16666105
5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
CID 139198213
5-chloro-3-(4-ethylsulfonylphenyl)-2-(6-methyl-3-pyridinyl)pyridine;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;methane
CID 159179951
3-(3,4-difluorophenyl)-5-methoxy-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one
CID 21472758
4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one
CID 22148956
4-(3-chloro-5-fluorophenyl)-2-ethyl-2-methyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18385917
3-[(6-butan-2-yl-5-fluoro-3-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
CID 54405650
2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
CID 174932122
5-chloro-2-(6-methyl-3-pyridinyl)-3-(2,3,5,6-tetradeuterio-4-methylsulfonylphenyl)pyridine
CID 25224662
5,5-dimethyl-3-(4-methylphenyl)-4-(4-methylsulfonylphenyl)furan-2-one
CID 22002642

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one?
The IUPAC name of 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one (CID 161196545) is 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one.
What is the SMILES notation for 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one?
The canonical SMILES for 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one is CC(C)CC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O.CC[C@@]1(C)OC(=O)C(c2ccc(F)c(F)c2)=C1c1ccc(S(C)(=O)=O)cc1.CC[C@]1(C)OC(=O)C(OC(C)C)=C1c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(C2=C(c3cc(F)cc(F)c3)C(=O)OC2)cc1.Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one?
The InChIKey is UUKNORWAPPCESZ-LNAGCUCGSA-N. The full InChI is InChI=1S/C20H18F2O4S.C18H15ClN2O2S.C17H12F2O4S.C17H22O5S.C17H22O4S/c1-4-20(2)18(12-5-8-14(9-6-12)27(3,24)25)17(19(23)26-20)13-7-10-15(21)16(22)11-13;1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23;1-24(21,22)14-4-2-10(3-5-14)15-9-23-17(20)16(15)11-6-12(18)8-13(19)7-11;1-6-17(4)14(15(16(18)22-17)21-11(2)3)12-7-9-13(10-8-12)23(5,19)20;1-11(2)10-14-15(17(3,4)21-16(14)18)12-6-8-13(9-7-12)22(5,19)20/h5-11H,4H2,1-3H3;3-11H,1-2H3;2-8H,9H2,1H3;7-11H,6H2,1-5H3;6-9,11H,10H2,1-5H3/t20-;;;17-;/m1..0./s1.
What are the key properties of 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one?
5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one has a molecular weight of 1762.47 g/mol, XLogP of 17.19, 19 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;(5R)-3-(3,4-difluorophenyl)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)furan-2-one;4-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one;5,5-dimethyl-3-(2-methylpropyl)-4-(4-methylsulfonylphenyl)furan-2-one;(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one is sourced from PubChem (CID 161196545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).