N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide

C24H27Cl3N4O6S2 — CID 59134202

IUPACN-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide
SMILESCC(C)N1CC2N(C(=O)C(NS(C)(=O)=O)CN2S(=O)(=O)c2cc(Cl)ccc2Cl)C(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C24H27Cl3N4O6S2/c1-14(2)29-13-22-30(39(36,37)21-11-17(26)8-9-18(21)27)12-19(28-38(3,34)35)23(32)31(22)20(24(29)33)10-15-4-6-16(25)7-5-15/h4-9,11,14,19-20,22,28H,10,12-13H2,1-3H3
InChIKeySCDPKGYNDZUHIC-UHFFFAOYSA-N
MW638.00 g/mol
LogP2.59
Rot. Bonds7

About N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide

N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide (PubChem CID 59134202) has the molecular formula C24H27Cl3N4O6S2 and a molecular weight of 638.00 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide
PubChem CID59134202
Molecular FormulaC24H27Cl3N4O6S2
Molecular Weight638.00 g/mol
Exact Mass636.04
IUPAC NameN-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide
SMILESCC(C)N1CC2N(C(=O)C(NS(C)(=O)=O)CN2S(=O)(=O)c2cc(Cl)ccc2Cl)C(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C24H27Cl3N4O6S2/c1-14(2)29-13-22-30(39(36,37)21-11-17(26)8-9-18(21)27)12-19(28-38(3,34)35)23(32)31(22)20(24(29)33)10-15-4-6-16(25)7-5-15/h4-9,11,14,19-20,22,28H,10,12-13H2,1-3H3
InChIKeySCDPKGYNDZUHIC-UHFFFAOYSA-N
XLogP2.59
TPSA124.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.00
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide with MolForge

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Related Compounds

3-amino-6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
CID 59134252
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
1-tert-butyl-3-[1-(5-chloro-2-methoxyphenyl)sulfonyl-6-[(4-chlorophenyl)methyl]-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]urea
CID 59133975
1-(5-chloro-2-methoxyphenyl)sulfonyl-6-[(4-chlorophenyl)methyl]-3-hydroxy-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
CID 59735219
N-[6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]pyrazine-2-carboxamide
CID 59134259
N-[6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]-4-(dimethylamino)benzamide
CID 59134159
N-[6-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]pyrrolidine-2-carboxamide
CID 59134101
N-[6-[(3,4-dichlorophenyl)methyl]-1-(2,4-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclobutanecarboxamide
CID 59134269
N-[8-cyclopropyl-1-(2,4-dichlorophenyl)sulfonyl-6-[(3,4-difluorophenyl)methyl]-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide
CID 59134130
1-(5-chloro-2-methoxyphenyl)sulfonyl-6-[(4-chlorophenyl)methyl]-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
CID 10392508
3-amino-1-(2,4-dichlorophenyl)sulfonyl-6-[(3,4-difluorophenyl)methyl]-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
CID 67338825
N-[1-(2,4-dichlorophenyl)sulfonyl-6-[(3,4-difluorophenyl)methyl]-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]cyclohexanecarboxamide
CID 59134008

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide?
The IUPAC name of N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide (CID 59134202) is N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide is CC(C)N1CC2N(C(=O)C(NS(C)(=O)=O)CN2S(=O)(=O)c2cc(Cl)ccc2Cl)C(Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide?
The InChIKey is SCDPKGYNDZUHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl3N4O6S2/c1-14(2)29-13-22-30(39(36,37)21-11-17(26)8-9-18(21)27)12-19(28-38(3,34)35)23(32)31(22)20(24(29)33)10-15-4-6-16(25)7-5-15/h4-9,11,14,19-20,22,28H,10,12-13H2,1-3H3.
What are the key properties of N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide?
N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide has a molecular weight of 638.00 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-chlorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-4,7-dioxo-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-3-yl]methanesulfonamide is sourced from PubChem (CID 59134202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).