5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one

C87H96ClFN2O20S5 — CID 161222009

IUPAC5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCC(C)OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)CC1O.CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1.CC1(C)OC(=O)C(c2cccc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1.CC1(C)OC(O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2cccnc2)cc1
InChIInChI=1S/C19H17FO4S.C17H13ClN2O2S.C17H22O5S.C17H20O5S.C17H24O4S/c1-19(2)17(12-7-9-15(10-8-12)25(3,22)23)16(18(21)24-19)13-5-4-6-14(20)11-13;1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13;2*1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11;1-11(2)21-16-14(18)10-17(3,4)15(16)12-6-8-13(9-7-12)22(5,19)20/h4-11H,1-3H3;2-11H,1H3;6-9,11,16,18H,4-5,10H2,1-3H3;6-9,11H,4-5,10H2,1-3H3;6-9,11,14,18H,10H2,1-5H3
InChIKeyUXQGQDJBMASMRE-UHFFFAOYSA-N
MW1704.50 g/mol
LogP15.28
Rot. Bonds20

About 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one

5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one (PubChem CID 161222009) has the molecular formula C87H96ClFN2O20S5 and a molecular weight of 1704.50 g/mol. Its IUPAC name is 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one.

Molecular Properties

Compound Name5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
PubChem CID161222009
Molecular FormulaC87H96ClFN2O20S5
Molecular Weight1704.50 g/mol
Exact Mass1702.48
IUPAC Name5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCC(C)OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)CC1O.CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1.CC1(C)OC(=O)C(c2cccc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1.CC1(C)OC(O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2cccnc2)cc1
InChIInChI=1S/C19H17FO4S.C17H13ClN2O2S.C17H22O5S.C17H20O5S.C17H24O4S/c1-19(2)17(12-7-9-15(10-8-12)25(3,22)23)16(18(21)24-19)13-5-4-6-14(20)11-13;1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13;2*1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11;1-11(2)21-16-14(18)10-17(3,4)15(16)12-6-8-13(9-7-12)22(5,19)20/h4-11H,1-3H3;2-11H,1H3;6-9,11,16,18H,4-5,10H2,1-3H3;6-9,11H,4-5,10H2,1-3H3;6-9,11,14,18H,10H2,1-5H3
InChIKeyUXQGQDJBMASMRE-UHFFFAOYSA-N
XLogP15.28
TPSA326.46 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001704.50
LogP ≤ 515.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The IUPAC name of 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one (CID 161222009) is 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one.
What is the SMILES notation for 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The canonical SMILES for 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one is CC(C)OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)CC1O.CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1.CC1(C)OC(=O)C(c2cccc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1.CC1(C)OC(O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cc(Cl)cnc2-c2cccnc2)cc1.
What is the InChIKey of 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The InChIKey is UXQGQDJBMASMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO4S.C17H13ClN2O2S.C17H22O5S.C17H20O5S.C17H24O4S/c1-19(2)17(12-7-9-15(10-8-12)25(3,22)23)16(18(21)24-19)13-5-4-6-14(20)11-13;1-23(21,22)15-6-4-12(5-7-15)16-9-14(18)11-20-17(16)13-3-2-8-19-10-13;2*1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11;1-11(2)21-16-14(18)10-17(3,4)15(16)12-6-8-13(9-7-12)22(5,19)20/h4-11H,1-3H3;2-11H,1H3;6-9,11,16,18H,4-5,10H2,1-3H3;6-9,11H,4-5,10H2,1-3H3;6-9,11,14,18H,10H2,1-5H3.
What are the key properties of 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one has a molecular weight of 1704.50 g/mol, XLogP of 15.28, 20 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol;3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one;4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propan-2-yloxycyclopent-2-en-1-ol;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one is sourced from PubChem (CID 161222009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).