3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine

C119H98Cl3F3N10O21S6 — CID 158639699

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine
SMILESCOc1ccc(-c2cncc(CS(=O)(=O)c3cc(Cl)ccc3OC)c2)cc1.COc1ccc(-c2cncc(CS(=O)(=O)c3cc(F)ccc3OC)c2)cc1.COc1ccc(-c2cncc(CS(=O)(=O)c3cc(F)ccc3OC)c2)cn1.COc1ccc(Cl)cc1S(=O)(=O)Cc1cncc(-c2ccc(C#N)cc2)c1.COc1ccc(Cl)cc1S(=O)(=O)Cc1cncc(-c2ccc(C#N)cc2)c1.COc1ccc(F)cc1S(=O)(=O)Cc1cncc(-c2ccc(C#N)cc2)c1
InChIInChI=1S/2C20H15ClN2O3S.C20H18ClNO4S.C20H15FN2O3S.C20H18FNO4S.C19H17FN2O4S/c2*1-26-19-7-6-18(21)9-20(19)27(24,25)13-15-8-17(12-23-11-15)16-4-2-14(10-22)3-5-16;1-25-18-6-3-15(4-7-18)16-9-14(11-22-12-16)13-27(23,24)20-10-17(21)5-8-19(20)26-2;1-26-19-7-6-18(21)9-20(19)27(24,25)13-15-8-17(12-23-11-15)16-4-2-14(10-22)3-5-16;1-25-18-6-3-15(4-7-18)16-9-14(11-22-12-16)13-27(23,24)20-10-17(21)5-8-19(20)26-2;1-25-17-5-4-16(20)8-18(17)27(23,24)12-13-7-15(10-21-9-13)14-3-6-19(26-2)22-11-14/h2*2-9,11-12H,13H2,1H3;3-12H,13H2,1-2H3;2-9,11-12H,13H2,1H3;3-12H,13H2,1-2H3;3-11H,12H2,1-2H3
InChIKeyIAFLUCUKWIRAIB-UHFFFAOYSA-N
MW2359.90 g/mol
LogP23.80
Rot. Bonds33

About 3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine

3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine (PubChem CID 158639699) has the molecular formula C119H98Cl3F3N10O21S6 and a molecular weight of 2359.90 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine
PubChem CID158639699
Molecular FormulaC119H98Cl3F3N10O21S6
Molecular Weight2359.90 g/mol
Exact Mass2356.42
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine
SMILESCOc1ccc(-c2cncc(CS(=O)(=O)c3cc(Cl)ccc3OC)c2)cc1.COc1ccc(-c2cncc(CS(=O)(=O)c3cc(F)ccc3OC)c2)cc1.COc1ccc(-c2cncc(CS(=O)(=O)c3cc(F)ccc3OC)c2)cn1.COc1ccc(Cl)cc1S(=O)(=O)Cc1cncc(-c2ccc(C#N)cc2)c1.COc1ccc(Cl)cc1S(=O)(=O)Cc1cncc(-c2ccc(C#N)cc2)c1.COc1ccc(F)cc1S(=O)(=O)Cc1cncc(-c2ccc(C#N)cc2)c1
InChIInChI=1S/2C20H15ClN2O3S.C20H18ClNO4S.C20H15FN2O3S.C20H18FNO4S.C19H17FN2O4S/c2*1-26-19-7-6-18(21)9-20(19)27(24,25)13-15-8-17(12-23-11-15)16-4-2-14(10-22)3-5-16;1-25-18-6-3-15(4-7-18)16-9-14(11-22-12-16)13-27(23,24)20-10-17(21)5-8-19(20)26-2;1-26-19-7-6-18(21)9-20(19)27(24,25)13-15-8-17(12-23-11-15)16-4-2-14(10-22)3-5-16;1-25-18-6-3-15(4-7-18)16-9-14(11-22-12-16)13-27(23,24)20-10-17(21)5-8-19(20)26-2;1-25-17-5-4-16(20)8-18(17)27(23,24)12-13-7-15(10-21-9-13)14-3-6-19(26-2)22-11-14/h2*2-9,11-12H,13H2,1H3;3-12H,13H2,1-2H3;2-9,11-12H,13H2,1H3;3-12H,13H2,1-2H3;3-11H,12H2,1-2H3
InChIKeyIAFLUCUKWIRAIB-UHFFFAOYSA-N
XLogP23.80
TPSA449.51 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002359.90
LogP ≤ 523.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine (CID 158639699) is 3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine is COc1ccc(-c2cncc(CS(=O)(=O)c3cc(Cl)ccc3OC)c2)cc1.COc1ccc(-c2cncc(CS(=O)(=O)c3cc(F)ccc3OC)c2)cc1.COc1ccc(-c2cncc(CS(=O)(=O)c3cc(F)ccc3OC)c2)cn1.COc1ccc(Cl)cc1S(=O)(=O)Cc1cncc(-c2ccc(C#N)cc2)c1.COc1ccc(Cl)cc1S(=O)(=O)Cc1cncc(-c2ccc(C#N)cc2)c1.COc1ccc(F)cc1S(=O)(=O)Cc1cncc(-c2ccc(C#N)cc2)c1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine?
The InChIKey is IAFLUCUKWIRAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15ClN2O3S.C20H18ClNO4S.C20H15FN2O3S.C20H18FNO4S.C19H17FN2O4S/c2*1-26-19-7-6-18(21)9-20(19)27(24,25)13-15-8-17(12-23-11-15)16-4-2-14(10-22)3-5-16;1-25-18-6-3-15(4-7-18)16-9-14(11-22-12-16)13-27(23,24)20-10-17(21)5-8-19(20)26-2;1-26-19-7-6-18(21)9-20(19)27(24,25)13-15-8-17(12-23-11-15)16-4-2-14(10-22)3-5-16;1-25-18-6-3-15(4-7-18)16-9-14(11-22-12-16)13-27(23,24)20-10-17(21)5-8-19(20)26-2;1-25-17-5-4-16(20)8-18(17)27(23,24)12-13-7-15(10-21-9-13)14-3-6-19(26-2)22-11-14/h2*2-9,11-12H,13H2,1H3;3-12H,13H2,1-2H3;2-9,11-12H,13H2,1H3;3-12H,13H2,1-2H3;3-11H,12H2,1-2H3.
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine?
3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine has a molecular weight of 2359.90 g/mol, XLogP of 23.80, 33 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;bis(4-[5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile);3-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methoxyphenyl)pyridine;4-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]benzonitrile;5-[5-[(5-fluoro-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-2-methoxypyridine is sourced from PubChem (CID 158639699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).