N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide

C17H20FN3O4S — CID 53179815

IUPACN-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCOCCN1CCn2cc(S(=O)(=O)NCc3ccccc3F)cc2C1=O
InChIInChI=1S/C17H20FN3O4S/c1-25-9-8-20-6-7-21-12-14(10-16(21)17(20)22)26(23,24)19-11-13-4-2-3-5-15(13)18/h2-5,10,12,19H,6-9,11H2,1H3
InChIKeyVSYRNXKOOFODOY-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.21
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide

N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (PubChem CID 53179815) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
PubChem CID53179815
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCOCCN1CCn2cc(S(=O)(=O)NCc3ccccc3F)cc2C1=O
InChIInChI=1S/C17H20FN3O4S/c1-25-9-8-20-6-7-21-12-14(10-16(21)17(20)22)26(23,24)19-11-13-4-2-3-5-15(13)18/h2-5,10,12,19H,6-9,11H2,1H3
InChIKeyVSYRNXKOOFODOY-UHFFFAOYSA-N
XLogP1.21
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (CID 53179815) is N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is COCCN1CCn2cc(S(=O)(=O)NCc3ccccc3F)cc2C1=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The InChIKey is VSYRNXKOOFODOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-25-9-8-20-6-7-21-12-14(10-16(21)17(20)22)26(23,24)19-11-13-4-2-3-5-15(13)18/h2-5,10,12,19H,6-9,11H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide has a molecular weight of 381.43 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is sourced from PubChem (CID 53179815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).