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

C19H16ClN3O3S — CID 72719553

IUPAC6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CCc2ncncc2C1
InChIInChI=1S/C19H16ClN3O3S/c20-17-3-1-2-4-19(17)26-15-5-7-16(8-6-15)27(24,25)23-10-9-18-14(12-23)11-21-13-22-18/h1-8,11,13H,9-10,12H2
InChIKeyMSKAXSVWCOYLSK-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.67
Rot. Bonds4

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

6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 72719553) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID72719553
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CCc2ncncc2C1
InChIInChI=1S/C19H16ClN3O3S/c20-17-3-1-2-4-19(17)26-15-5-7-16(8-6-15)27(24,25)23-10-9-18-14(12-23)11-21-13-22-18/h1-8,11,13H,9-10,12H2
InChIKeyMSKAXSVWCOYLSK-UHFFFAOYSA-N
XLogP3.67
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 72719553) is 6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CCc2ncncc2C1.
What is the InChIKey of 6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is MSKAXSVWCOYLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-17-3-1-2-4-19(17)26-15-5-7-16(8-6-15)27(24,25)23-10-9-18-14(12-23)11-21-13-22-18/h1-8,11,13H,9-10,12H2.
What are the key properties of 6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 401.88 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 72719553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).