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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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

C105H104ClF4N3O25S7 — CID 158026413

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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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
SMILESCC(C)OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O.CC1(C)OC(=O)C(OCc2nccs2)=C1c1ccc(S(C)(=O)=O)cc1.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.C17H17NO5S2.C17H22O5S.C16H20O5S/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;1-17(2)14(11-4-6-12(7-5-11)25(3,20)21)15(16(19)23-17)22-10-13-18-8-9-24-13;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;1-10(2)20-14-13(16(3,4)21-15(14)17)11-6-8-12(9-7-11)22(5,18)19/h5-11H,4H2,1-3H3;3-11H,1-2H3;2-8H,9H2,1H3;4-9H,10H2,1-3H3;7-11H,6H2,1-5H3;6-10H,1-5H3/t20-;;;;17-;/m1...0./s1
InChIKeyFGQSDJPGMILTHQ-DCOXYONASA-N
MW2143.90 g/mol
LogP19.34
Rot. Bonds24

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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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

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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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 (PubChem CID 158026413) has the molecular formula C105H104ClF4N3O25S7 and a molecular weight of 2143.90 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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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.

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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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
PubChem CID158026413
Molecular FormulaC105H104ClF4N3O25S7
Molecular Weight2143.90 g/mol
Exact Mass2141.46
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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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
SMILESCC(C)OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O.CC1(C)OC(=O)C(OCc2nccs2)=C1c1ccc(S(C)(=O)=O)cc1.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.C17H17NO5S2.C17H22O5S.C16H20O5S/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;1-17(2)14(11-4-6-12(7-5-11)25(3,20)21)15(16(19)23-17)22-10-13-18-8-9-24-13;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;1-10(2)20-14-13(16(3,4)21-15(14)17)11-6-8-12(9-7-11)22(5,18)19/h5-11H,4H2,1-3H3;3-11H,1-2H3;2-8H,9H2,1H3;4-9H,10H2,1-3H3;7-11H,6H2,1-5H3;6-10H,1-5H3/t20-;;;;17-;/m1...0./s1
InChIKeyFGQSDJPGMILTHQ-DCOXYONASA-N
XLogP19.34
TPSA402.70 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002143.90
LogP ≤ 519.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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 with MolForge

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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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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?
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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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 158026413) 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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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.
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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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?
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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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 is CC(C)OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O.CC1(C)OC(=O)C(OCc2nccs2)=C1c1ccc(S(C)(=O)=O)cc1.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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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?
The InChIKey is FGQSDJPGMILTHQ-DCOXYONASA-N. The full InChI is InChI=1S/C20H18F2O4S.C18H15ClN2O2S.C17H12F2O4S.C17H17NO5S2.C17H22O5S.C16H20O5S/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;1-17(2)14(11-4-6-12(7-5-11)25(3,20)21)15(16(19)23-17)22-10-13-18-8-9-24-13;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;1-10(2)20-14-13(16(3,4)21-15(14)17)11-6-8-12(9-7-11)22(5,18)19/h5-11H,4H2,1-3H3;3-11H,1-2H3;2-8H,9H2,1H3;4-9H,10H2,1-3H3;7-11H,6H2,1-5H3;6-10H,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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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?
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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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 has a molecular weight of 2143.90 g/mol, XLogP of 19.34, 24 rotatable bonds, 0 hydrogen bond donors, and 29 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-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-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 is sourced from PubChem (CID 158026413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).