2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide

C19H18FN3O3S — CID 17408669

IUPAC2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1cc(=O)n2ccc(C)cc2n1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C19H18FN3O3S/c1-3-9-22(27(25,26)17-7-5-4-6-16(17)20)13-15-12-19(24)23-10-8-14(2)11-18(23)21-15/h3-8,10-12H,1,9,13H2,2H3
InChIKeyFSNASZSTUAGHBL-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.52
Rot. Bonds6

About 2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide

2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 17408669) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide
PubChem CID17408669
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1cc(=O)n2ccc(C)cc2n1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C19H18FN3O3S/c1-3-9-22(27(25,26)17-7-5-4-6-16(17)20)13-15-12-19(24)23-10-8-14(2)11-18(23)21-15/h3-8,10-12H,1,9,13H2,2H3
InChIKeyFSNASZSTUAGHBL-UHFFFAOYSA-N
XLogP2.52
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide (CID 17408669) is 2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide is C=CCN(Cc1cc(=O)n2ccc(C)cc2n1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is FSNASZSTUAGHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-3-9-22(27(25,26)17-7-5-4-6-16(17)20)13-15-12-19(24)23-10-8-14(2)11-18(23)21-15/h3-8,10-12H,1,9,13H2,2H3.
What are the key properties of 2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide?
2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 17408669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).