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

C16H17ClFN3O4S — CID 53179813

IUPACN-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCOCCN1CCn2cc(S(=O)(=O)Nc3ccc(Cl)cc3F)cc2C1=O
InChIInChI=1S/C16H17ClFN3O4S/c1-25-7-6-20-4-5-21-10-12(9-15(21)16(20)22)26(23,24)19-14-3-2-11(17)8-13(14)18/h2-3,8-10,19H,4-7H2,1H3
InChIKeyWYRWSKKRTRONMA-UHFFFAOYSA-N
MW401.85 g/mol
LogP2.18
Rot. Bonds6

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

N-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (PubChem CID 53179813) has the molecular formula C16H17ClFN3O4S and a molecular weight of 401.85 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
PubChem CID53179813
Molecular FormulaC16H17ClFN3O4S
Molecular Weight401.85 g/mol
Exact Mass401.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCOCCN1CCn2cc(S(=O)(=O)Nc3ccc(Cl)cc3F)cc2C1=O
InChIInChI=1S/C16H17ClFN3O4S/c1-25-7-6-20-4-5-21-10-12(9-15(21)16(20)22)26(23,24)19-14-3-2-11(17)8-13(14)18/h2-3,8-10,19H,4-7H2,1H3
InChIKeyWYRWSKKRTRONMA-UHFFFAOYSA-N
XLogP2.18
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179815
2-ethyl-N-(2-fluoro-4-methylphenyl)-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182954
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
4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43132318
2-ethyl-N-(4-fluorophenyl)-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182925
N-(3,4-dimethylphenyl)-2-ethyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179662
N-(3-ethylphenyl)-1-oxo-2-propyl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 83273824
3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 4847840
N-(3,4-difluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179727
N-(2-chloro-4-fluorophenyl)-1-oxo-2,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182802
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (CID 53179813) is N-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is COCCN1CCn2cc(S(=O)(=O)Nc3ccc(Cl)cc3F)cc2C1=O.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The InChIKey is WYRWSKKRTRONMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O4S/c1-25-7-6-20-4-5-21-10-12(9-15(21)16(20)22)26(23,24)19-14-3-2-11(17)8-13(14)18/h2-3,8-10,19H,4-7H2,1H3.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
N-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide has a molecular weight of 401.85 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is sourced from PubChem (CID 53179813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).