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

C18H19ClFN3O5S — CID 118624340

IUPAC4-chloro-2-fluoro-N-[(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)c3ccc(Cl)cc3F)cc(=O)c(O)c2C1=O
InChIInChI=1S/C18H19ClFN3O5S/c1-10(2)22-5-6-23-12(8-14(24)17(25)16(23)18(22)26)9-21-29(27,28)15-4-3-11(19)7-13(15)20/h3-4,7-8,10,21,25H,5-6,9H2,1-2H3
InChIKeyYWOWEYIGBDLPEP-UHFFFAOYSA-N
MW443.88 g/mol
LogP1.69
Rot. Bonds5

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

4-chloro-2-fluoro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide (PubChem CID 118624340) has the molecular formula C18H19ClFN3O5S and a molecular weight of 443.88 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide
PubChem CID118624340
Molecular FormulaC18H19ClFN3O5S
Molecular Weight443.88 g/mol
Exact Mass443.07
IUPAC Name4-chloro-2-fluoro-N-[(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)c3ccc(Cl)cc3F)cc(=O)c(O)c2C1=O
InChIInChI=1S/C18H19ClFN3O5S/c1-10(2)22-5-6-23-12(8-14(24)17(25)16(23)18(22)26)9-21-29(27,28)15-4-3-11(19)7-13(15)20/h3-4,7-8,10,21,25H,5-6,9H2,1-2H3
InChIKeyYWOWEYIGBDLPEP-UHFFFAOYSA-N
XLogP1.69
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.88
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-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 4-chloro-2-fluoro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide (CID 118624340) is 4-chloro-2-fluoro-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 4-chloro-2-fluoro-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 4-chloro-2-fluoro-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)c3ccc(Cl)cc3F)cc(=O)c(O)c2C1=O.
What is the InChIKey of 4-chloro-2-fluoro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide?
The InChIKey is YWOWEYIGBDLPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O5S/c1-10(2)22-5-6-23-12(8-14(24)17(25)16(23)18(22)26)9-21-29(27,28)15-4-3-11(19)7-13(15)20/h3-4,7-8,10,21,25H,5-6,9H2,1-2H3.
What are the key properties of 4-chloro-2-fluoro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide?
4-chloro-2-fluoro-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 443.88 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-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 118624340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).