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

C14H13ClFN3O3S — CID 53179624

IUPACN-(2-chloro-4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCN1CCn2cc(S(=O)(=O)Nc3ccc(F)cc3Cl)cc2C1=O
InChIInChI=1S/C14H13ClFN3O3S/c1-18-4-5-19-8-10(7-13(19)14(18)20)23(21,22)17-12-3-2-9(16)6-11(12)15/h2-3,6-8,17H,4-5H2,1H3
InChIKeyWWMWETUBOMTJNN-UHFFFAOYSA-N
MW357.79 g/mol
LogP2.17
Rot. Bonds3

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

N-(2-chloro-4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (PubChem CID 53179624) has the molecular formula C14H13ClFN3O3S and a molecular weight of 357.79 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
PubChem CID53179624
Molecular FormulaC14H13ClFN3O3S
Molecular Weight357.79 g/mol
Exact Mass357.04
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCN1CCn2cc(S(=O)(=O)Nc3ccc(F)cc3Cl)cc2C1=O
InChIInChI=1S/C14H13ClFN3O3S/c1-18-4-5-19-8-10(7-13(19)14(18)20)23(21,22)17-12-3-2-9(16)6-11(12)15/h2-3,6-8,17H,4-5H2,1H3
InChIKeyWWMWETUBOMTJNN-UHFFFAOYSA-N
XLogP2.17
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 52.17
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)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (CID 53179624) is N-(2-chloro-4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is CN1CCn2cc(S(=O)(=O)Nc3ccc(F)cc3Cl)cc2C1=O.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The InChIKey is WWMWETUBOMTJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O3S/c1-18-4-5-19-8-10(7-13(19)14(18)20)23(21,22)17-12-3-2-9(16)6-11(12)15/h2-3,6-8,17H,4-5H2,1H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
N-(2-chloro-4-fluorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide has a molecular weight of 357.79 g/mol, XLogP of 2.17, 3 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)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is sourced from PubChem (CID 53179624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).