2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H15ClFN3O2S — CID 53147321

IUPAC2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1
InChIInChI=1S/C19H15ClFN3O2S/c20-15-3-1-13(2-4-15)19-22-11-14-12-24(10-9-18(14)23-19)27(25,26)17-7-5-16(21)6-8-17/h1-8,11H,9-10,12H2
InChIKeyMEHCZCYCDZBVNC-UHFFFAOYSA-N
MW403.87 g/mol
LogP3.68
Rot. Bonds3

About 2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 53147321) has the molecular formula C19H15ClFN3O2S and a molecular weight of 403.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID53147321
Molecular FormulaC19H15ClFN3O2S
Molecular Weight403.87 g/mol
Exact Mass403.06
IUPAC Name2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1
InChIInChI=1S/C19H15ClFN3O2S/c20-15-3-1-13(2-4-15)19-22-11-14-12-24(10-9-18(14)23-19)27(25,26)17-7-5-16(21)6-8-17/h1-8,11H,9-10,12H2
InChIKeyMEHCZCYCDZBVNC-UHFFFAOYSA-N
XLogP3.68
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 53147321) is 2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is O=S(=O)(c1ccc(F)cc1)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is MEHCZCYCDZBVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2S/c20-15-3-1-13(2-4-15)19-22-11-14-12-24(10-9-18(14)23-19)27(25,26)17-7-5-16(21)6-8-17/h1-8,11H,9-10,12H2.
What are the key properties of 2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 403.87 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 53147321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).