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

C14H14ClN3O3S — CID 53179626

IUPACN-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCN1CCn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C1=O
InChIInChI=1S/C14H14ClN3O3S/c1-17-6-7-18-9-12(8-13(18)14(17)19)22(20,21)16-11-4-2-10(15)3-5-11/h2-5,8-9,16H,6-7H2,1H3
InChIKeyCSLMCPTUBGSYSY-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.03
Rot. Bonds3

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

N-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (PubChem CID 53179626) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
PubChem CID53179626
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC NameN-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
SMILESCN1CCn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C1=O
InChIInChI=1S/C14H14ClN3O3S/c1-17-6-7-18-9-12(8-13(18)14(17)19)22(20,21)16-11-4-2-10(15)3-5-11/h2-5,8-9,16H,6-7H2,1H3
InChIKeyCSLMCPTUBGSYSY-UHFFFAOYSA-N
XLogP2.03
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182857
ethyl 4-[(2-methyl-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepin-8-yl)sulfonylamino]benzoate
CID 53182855
2-ethyl-N-(4-methylphenyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179650
N-(3,4-difluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179727
N-(4-fluorophenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179720
N-(3,4-dimethylphenyl)-2-ethyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179662
2-ethyl-N-(4-fluorophenyl)-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide
CID 53182925
N-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179813
N-(3-ethylphenyl)-1-oxo-2-propyl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 83273824
N-(3-methylphenyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179713
N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688376
2-ethyl-N-(3-fluorophenyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 83273515

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide (CID 53179626) is N-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is CN1CCn2cc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2C1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
The InChIKey is CSLMCPTUBGSYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-17-6-7-18-9-12(8-13(18)14(17)19)22(20,21)16-11-4-2-10(15)3-5-11/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of N-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide?
N-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide has a molecular weight of 339.80 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide is sourced from PubChem (CID 53179626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).