7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one

C113H72Cl4F6N18O9S3 — CID 160615308

IUPAC7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one
SMILESCc1cc(-c2ncccc2-c2ccc3c(c2)S(=O)(=O)N=CN3)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(=O)[nH]c3c2)ccc1F.O=S1(=O)N=CNc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc21.O=S1(=O)N=CNc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.O=c1cnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc2[nH]1.O=c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2[nH]1
InChIInChI=1S/C20H14FN3O.2C19H11ClFN3O.C19H14FN3O2S.2C18H11ClFN3O2S/c1-12-9-14(4-6-16(12)21)20-15(3-2-8-22-20)13-5-7-17-18(10-13)24-19(25)11-23-17;20-12-4-5-15(21)14(9-12)19-13(2-1-7-22-19)11-3-6-16-17(8-11)24-18(25)10-23-16;20-14-8-12(3-5-15(14)21)19-13(2-1-7-22-19)11-4-6-16-17(9-11)24-18(25)10-23-16;1-12-9-14(4-6-16(12)20)19-15(3-2-8-21-19)13-5-7-17-18(10-13)26(24,25)23-11-22-17;19-12-4-5-15(20)14(9-12)18-13(2-1-7-21-18)11-3-6-16-17(8-11)26(24,25)23-10-22-16;19-14-8-12(3-5-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)26(24,25)23-10-22-16/h2-11H,1H3,(H,24,25);2*1-10H,(H,24,25);2-11H,1H3,(H,22,23);2*1-10H,(H,22,23)
InChIKeyRFZYUAMRPIYZRO-UHFFFAOYSA-N
MW2177.94 g/mol
LogP25.70
Rot. Bonds12

About 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one

7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one (PubChem CID 160615308) has the molecular formula C113H72Cl4F6N18O9S3 and a molecular weight of 2177.94 g/mol. Its IUPAC name is 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one
PubChem CID160615308
Molecular FormulaC113H72Cl4F6N18O9S3
Molecular Weight2177.94 g/mol
Exact Mass2174.36
IUPAC Name7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one
SMILESCc1cc(-c2ncccc2-c2ccc3c(c2)S(=O)(=O)N=CN3)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(=O)[nH]c3c2)ccc1F.O=S1(=O)N=CNc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc21.O=S1(=O)N=CNc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.O=c1cnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc2[nH]1.O=c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2[nH]1
InChIInChI=1S/C20H14FN3O.2C19H11ClFN3O.C19H14FN3O2S.2C18H11ClFN3O2S/c1-12-9-14(4-6-16(12)21)20-15(3-2-8-22-20)13-5-7-17-18(10-13)24-19(25)11-23-17;20-12-4-5-15(21)14(9-12)19-13(2-1-7-22-19)11-3-6-16-17(8-11)24-18(25)10-23-16;20-14-8-12(3-5-15(14)21)19-13(2-1-7-22-19)11-4-6-16-17(9-11)24-18(25)10-23-16;1-12-9-14(4-6-16(12)20)19-15(3-2-8-21-19)13-5-7-17-18(10-13)26(24,25)23-11-22-17;19-12-4-5-15(20)14(9-12)18-13(2-1-7-21-18)11-3-6-16-17(8-11)26(24,25)23-10-22-16;19-14-8-12(3-5-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)26(24,25)23-10-22-16/h2-11H,1H3,(H,24,25);2*1-10H,(H,24,25);2-11H,1H3,(H,22,23);2*1-10H,(H,22,23)
InChIKeyRFZYUAMRPIYZRO-UHFFFAOYSA-N
XLogP25.70
TPSA390.18 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002177.94
LogP ≤ 525.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one with MolForge

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Related Compounds

7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one
CID 157711717
7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylquinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one
CID 158782033

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one?
The IUPAC name of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one (CID 160615308) is 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one?
The canonical SMILES for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one is Cc1cc(-c2ncccc2-c2ccc3c(c2)S(=O)(=O)N=CN3)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(=O)[nH]c3c2)ccc1F.O=S1(=O)N=CNc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc21.O=S1(=O)N=CNc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.O=c1cnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc2[nH]1.O=c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2[nH]1.
What is the InChIKey of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one?
The InChIKey is RFZYUAMRPIYZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O.2C19H11ClFN3O.C19H14FN3O2S.2C18H11ClFN3O2S/c1-12-9-14(4-6-16(12)21)20-15(3-2-8-22-20)13-5-7-17-18(10-13)24-19(25)11-23-17;20-12-4-5-15(21)14(9-12)19-13(2-1-7-22-19)11-3-6-16-17(8-11)24-18(25)10-23-16;20-14-8-12(3-5-15(14)21)19-13(2-1-7-22-19)11-4-6-16-17(9-11)24-18(25)10-23-16;1-12-9-14(4-6-16(12)20)19-15(3-2-8-21-19)13-5-7-17-18(10-13)26(24,25)23-11-22-17;19-12-4-5-15(20)14(9-12)18-13(2-1-7-21-18)11-3-6-16-17(8-11)26(24,25)23-10-22-16;19-14-8-12(3-5-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)26(24,25)23-10-22-16/h2-11H,1H3,(H,24,25);2*1-10H,(H,24,25);2-11H,1H3,(H,22,23);2*1-10H,(H,22,23).
What are the key properties of 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one?
7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one has a molecular weight of 2177.94 g/mol, XLogP of 25.70, 12 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1H-quinoxalin-2-one;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 160615308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).