N-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide

C23H21N3O4S — CID 2548007

IUPACN-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide
SMILESCc1ccc2nc(COc3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc(=O)n2c1
InChIInChI=1S/C23H21N3O4S/c1-17-8-13-22-24-18(14-23(27)26(22)15-17)16-30-20-11-9-19(10-12-20)25(2)31(28,29)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3
InChIKeyPGPXQSUZYLYRPT-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.41
Rot. Bonds6

About N-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide

N-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide (PubChem CID 2548007) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide
PubChem CID2548007
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide
SMILESCc1ccc2nc(COc3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc(=O)n2c1
InChIInChI=1S/C23H21N3O4S/c1-17-8-13-22-24-18(14-23(27)26(22)15-17)16-30-20-11-9-19(10-12-20)25(2)31(28,29)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3
InChIKeyPGPXQSUZYLYRPT-UHFFFAOYSA-N
XLogP3.41
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide (CID 2548007) is N-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide is Cc1ccc2nc(COc3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc(=O)n2c1.
What is the InChIKey of N-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide?
The InChIKey is PGPXQSUZYLYRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-17-8-13-22-24-18(14-23(27)26(22)15-17)16-30-20-11-9-19(10-12-20)25(2)31(28,29)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3.
What are the key properties of N-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide?
N-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide has a molecular weight of 435.51 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 2548007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).