1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione

C24H27Cl2N3O5S — CID 59735236

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione

1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione (PubChem CID 59735236) has the molecular formula C24H27Cl2N3O5S and a molecular weight of 540.47 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione.

Molecular Properties

• Compound Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
• PubChem CID: 59735236
• Molecular Formula: C24H27Cl2N3O5S
• Molecular Weight: 540.47 g/mol
• Exact Mass: 539.10
• IUPAC Name: 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
• SMILES: COc1ccc(Cl)cc1S(=O)(=O)N1C(C)C(=O)N2C(Cc3ccc(Cl)cc3)C(=O)N(C(C)C)CC21
• InChI: InChI=1S/C24H27Cl2N3O5S/c1-14(2)27-13-22-28(19(24(27)31)11-16-5-7-17(25)8-6-16)23(30)15(3)29(22)35(32,33)21-12-18(26)9-10-20(21)34-4/h5-10,12,14-15,19,22H,11,13H2,1-4H3
• InChIKey: GXEDVBIEEZJFBI-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 87.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.47
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?

The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione (CID 59735236) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione.

What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?

The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione is COc1ccc(Cl)cc1S(=O)(=O)N1C(C)C(=O)N2C(Cc3ccc(Cl)cc3)C(=O)N(C(C)C)CC21.

What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?

The InChIKey is GXEDVBIEEZJFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O5S/c1-14(2)27-13-22-28(19(24(27)31)11-16-5-7-17(25)8-6-16)23(30)15(3)29(22)35(32,33)21-12-18(26)9-10-20(21)34-4/h5-10,12,14-15,19,22H,11,13H2,1-4H3.

What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?

1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione has a molecular weight of 540.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-[(4-chlorophenyl)methyl]-2-methyl-7-propan-2-yl-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione is sourced from PubChem (CID 59735236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).