4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide

C20H18N4O4S — CID 155549634

IUPAC4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C20H18N4O4S/c21-29(27,28)15-8-6-14(7-9-15)20(26)24-11-10-17-16(12-24)19(25)23-18(22-17)13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,21,27,28)(H,22,23,25)
InChIKeyFLKMCUCHEIMTPR-UHFFFAOYSA-N
MW410.46 g/mol
LogP1.28
Rot. Bonds3

About 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide

4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide (PubChem CID 155549634) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide
PubChem CID155549634
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C20H18N4O4S/c21-29(27,28)15-8-6-14(7-9-15)20(26)24-11-10-17-16(12-24)19(25)23-18(22-17)13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,21,27,28)(H,22,23,25)
InChIKeyFLKMCUCHEIMTPR-UHFFFAOYSA-N
XLogP1.28
TPSA126.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide (CID 155549634) is 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)cc1.
What is the InChIKey of 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide?
The InChIKey is FLKMCUCHEIMTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c21-29(27,28)15-8-6-14(7-9-15)20(26)24-11-10-17-16(12-24)19(25)23-18(22-17)13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,21,27,28)(H,22,23,25).
What are the key properties of 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide?
4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide has a molecular weight of 410.46 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)benzenesulfonamide is sourced from PubChem (CID 155549634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).