N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide

C25H28ClN3O3S — CID 42798052

About N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide

N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 42798052) has the molecular formula C25H28ClN3O3S and a molecular weight of 486.04 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide
• PubChem CID: 42798052
• Molecular Formula: C25H28ClN3O3S
• Molecular Weight: 486.04 g/mol
• Exact Mass: 485.15
• IUPAC Name: N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide
• SMILES: CC(C)(C)N(CC(=O)N1CCn2cccc2C1c1ccccc1Cl)S(=O)(=O)c1ccccc1
• InChI: InChI=1S/C25H28ClN3O3S/c1-25(2,3)29(33(31,32)19-10-5-4-6-11-19)18-23(30)28-17-16-27-15-9-14-22(27)24(28)20-12-7-8-13-21(20)26/h4-15,24H,16-18H2,1-3H3
• InChIKey: ZODNGWNIRZBNJQ-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 62.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.04
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide?

The IUPAC name of N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide (CID 42798052) is N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide.

What is the SMILES notation for N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide?

The canonical SMILES for N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide is CC(C)(C)N(CC(=O)N1CCn2cccc2C1c1ccccc1Cl)S(=O)(=O)c1ccccc1.

What is the InChIKey of N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide?

The InChIKey is ZODNGWNIRZBNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O3S/c1-25(2,3)29(33(31,32)19-10-5-4-6-11-19)18-23(30)28-17-16-27-15-9-14-22(27)24(28)20-12-7-8-13-21(20)26/h4-15,24H,16-18H2,1-3H3.

What are the key properties of N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide?

N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 486.04 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-N-[2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 42798052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).