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

C16H18FN3O3S — CID 53179720

IUPACN-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCC(C)N1CCn2cc(S(=O)(=O)Nc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C16H18FN3O3S/c1-11(2)20-8-7-19-10-14(9-15(19)16(20)21)24(22,23)18-13-5-3-12(17)4-6-13/h3-6,9-11,18H,7-8H2,1-2H3
InChIKeyIYZKHXKIJCMOJE-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.29
Rot. Bonds4

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

N-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (PubChem CID 53179720) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
PubChem CID53179720
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC NameN-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCC(C)N1CCn2cc(S(=O)(=O)Nc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C16H18FN3O3S/c1-11(2)20-8-7-19-10-14(9-15(19)16(20)21)24(22,23)18-13-5-3-12(17)4-6-13/h3-6,9-11,18H,7-8H2,1-2H3
InChIKeyIYZKHXKIJCMOJE-UHFFFAOYSA-N
XLogP2.29
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179727
N-(3,5-dimethoxyphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179717
N-(3-methylphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179713
2-ethyl-N-(4-fluorophenyl)-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182925
N-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179626
2-ethyl-N-(3-fluorophenyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 83273515
N-(3,5-difluorophenyl)-2-ethyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182944
N-(3,5-dimethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179757
N-(3,4-dimethylphenyl)-2-ethyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179662
N-(4-methoxyphenyl)-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182777
N-(3-ethylphenyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179758
N-(2-chloro-4-fluorophenyl)-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182802

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (CID 53179720) is N-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is CC(C)N1CCn2cc(S(=O)(=O)Nc3ccc(F)cc3)cc2C1=O.
What is the InChIKey of N-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The InChIKey is IYZKHXKIJCMOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-11(2)20-8-7-19-10-14(9-15(19)16(20)21)24(22,23)18-13-5-3-12(17)4-6-13/h3-6,9-11,18H,7-8H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
N-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide has a molecular weight of 351.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is sourced from PubChem (CID 53179720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).