N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide

C27H29Cl2F3N4O6S2 — CID 59134135

About N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide

N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide (PubChem CID 59134135) has the molecular formula C27H29Cl2F3N4O6S2 and a molecular weight of 697.59 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide
• PubChem CID: 59134135
• Molecular Formula: C27H29Cl2F3N4O6S2
• Molecular Weight: 697.59 g/mol
• Exact Mass: 696.09
• IUPAC Name: N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide
• SMILES: CC(C)N1CC2N(C(=O)C(NS(=O)(=O)C3CC3)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(C(F)(F)F)cc2)C1=O
• InChI: InChI=1S/C27H29Cl2F3N4O6S2/c1-15(2)34-14-24-35(44(41,42)23-10-7-18(28)12-20(23)29)13-21(33-43(39,40)19-8-9-19)25(37)36(24)22(26(34)38)11-16-3-5-17(6-4-16)27(30,31)32/h3-7,10,12,15,19,21-22,24,33H,8-9,11,13-14H2,1-2H3
• InChIKey: LMUPILIBMISECG-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 124.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	697.59
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide?

The IUPAC name of N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide (CID 59134135) is N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide.

What is the SMILES notation for N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide?

The canonical SMILES for N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide is CC(C)N1CC2N(C(=O)C(NS(=O)(=O)C3CC3)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(C(F)(F)F)cc2)C1=O.

What is the InChIKey of N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide?

The InChIKey is LMUPILIBMISECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2F3N4O6S2/c1-15(2)34-14-24-35(44(41,42)23-10-7-18(28)12-20(23)29)13-21(33-43(39,40)19-8-9-19)25(37)36(24)22(26(34)38)11-16-3-5-17(6-4-16)27(30,31)32/h3-7,10,12,15,19,21-22,24,33H,8-9,11,13-14H2,1-2H3.

What are the key properties of N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide?

N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide has a molecular weight of 697.59 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclopropanesulfonamide is sourced from PubChem (CID 59134135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).