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

C15H15ClFN3O3S — CID 53179636

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCN1CCn2cc(S(=O)(=O)NCc3ccc(F)cc3Cl)cc2C1=O
InChIInChI=1S/C15H15ClFN3O3S/c1-19-4-5-20-9-12(7-14(20)15(19)21)24(22,23)18-8-10-2-3-11(17)6-13(10)16/h2-3,6-7,9,18H,4-5,8H2,1H3
InChIKeyBMBYWFIEJJHOMP-UHFFFAOYSA-N
MW371.82 g/mol
LogP1.84
Rot. Bonds4

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

N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (PubChem CID 53179636) has the molecular formula C15H15ClFN3O3S and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
PubChem CID53179636
Molecular FormulaC15H15ClFN3O3S
Molecular Weight371.82 g/mol
Exact Mass371.05
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCN1CCn2cc(S(=O)(=O)NCc3ccc(F)cc3Cl)cc2C1=O
InChIInChI=1S/C15H15ClFN3O3S/c1-19-4-5-20-9-12(7-14(20)15(19)21)24(22,23)18-8-10-2-3-11(17)6-13(10)16/h2-3,6-7,9,18H,4-5,8H2,1H3
InChIKeyBMBYWFIEJJHOMP-UHFFFAOYSA-N
XLogP1.84
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (CID 53179636) is N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is CN1CCn2cc(S(=O)(=O)NCc3ccc(F)cc3Cl)cc2C1=O.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The InChIKey is BMBYWFIEJJHOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3S/c1-19-4-5-20-9-12(7-14(20)15(19)21)24(22,23)18-8-10-2-3-11(17)6-13(10)16/h2-3,6-7,9,18H,4-5,8H2,1H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide has a molecular weight of 371.82 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is sourced from PubChem (CID 53179636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).