N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide

C18H21N3O5S — CID 118624598

IUPACN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide
SMILESCC(C)N1CCn2c(CNS(=O)(=O)c3ccccc3)cc(=O)c(O)c2C1=O
InChIInChI=1S/C18H21N3O5S/c1-12(2)20-8-9-21-13(10-15(22)17(23)16(21)18(20)24)11-19-27(25,26)14-6-4-3-5-7-14/h3-7,10,12,19,23H,8-9,11H2,1-2H3
InChIKeyYFEFLWSOHYFMBY-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.90
Rot. Bonds5

About N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide

N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide (PubChem CID 118624598) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide
PubChem CID118624598
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide
SMILESCC(C)N1CCn2c(CNS(=O)(=O)c3ccccc3)cc(=O)c(O)c2C1=O
InChIInChI=1S/C18H21N3O5S/c1-12(2)20-8-9-21-13(10-15(22)17(23)16(21)18(20)24)11-19-27(25,26)14-6-4-3-5-7-14/h3-7,10,12,19,23H,8-9,11H2,1-2H3
InChIKeyYFEFLWSOHYFMBY-UHFFFAOYSA-N
XLogP0.90
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide (CID 118624598) is N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide is CC(C)N1CCn2c(CNS(=O)(=O)c3ccccc3)cc(=O)c(O)c2C1=O.
What is the InChIKey of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide?
The InChIKey is YFEFLWSOHYFMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-12(2)20-8-9-21-13(10-15(22)17(23)16(21)18(20)24)11-19-27(25,26)14-6-4-3-5-7-14/h3-7,10,12,19,23H,8-9,11H2,1-2H3.
What are the key properties of N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide?
N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 118624598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).