2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one

C114H84Cl6N12O22S10 — CID 159470738

IUPAC2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one
SMILESCN1Cc2c(n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c3ccccc23)C1.O=C(Cc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cc(-c3ccccc3)ccc2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3cc4ncoc4cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(N2C(=O)Cc3ccccc3C2=O)c(Cl)c1)CS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C24H20ClN3O4S2.C23H18ClN3O4S2.C23H17ClN2O4S2.C22H15Cl2NO5S2.C22H14ClN3O5S2/c1-27-12-19-17-4-2-3-5-18(17)24(30)28(20(19)13-27)22-8-6-15(11-26-22)10-16(29)14-34(31,32)23-9-7-21(25)33-23;24-20-6-8-22(32-20)33(30,31)13-15(28)9-14-5-7-21(26-10-14)27-19-12-25-11-18(19)16-3-1-2-4-17(16)23(27)29;24-20-8-11-23(31-20)32(29,30)15-19(27)12-16-6-9-21(25-13-16)26-14-18(7-10-22(26)28)17-4-2-1-3-5-17;23-17-10-13(9-15(26)12-32(29,30)21-8-7-19(24)31-21)5-6-18(17)25-20(27)11-14-3-1-2-4-16(14)22(25)28;23-19-2-4-21(32-19)33(29,30)11-15(27)7-13-1-3-20(24-10-13)26-6-5-14-8-17-18(31-12-25-17)9-16(14)22(26)28/h2-9,11H,10,12-14H2,1H3;1-8,10,25H,9,11-13H2;1-11,13-14H,12,15H2;1-8,10H,9,11-12H2;1-6,8-10,12H,7,11H2
InChIKeyLVTOTJNZHAWCBJ-UHFFFAOYSA-N
MW2507.38 g/mol
LogP19.32
Rot. Bonds31

About 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one

2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one (PubChem CID 159470738) has the molecular formula C114H84Cl6N12O22S10 and a molecular weight of 2507.38 g/mol. Its IUPAC name is 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one.

Molecular Properties

Compound Name2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one
PubChem CID159470738
Molecular FormulaC114H84Cl6N12O22S10
Molecular Weight2507.38 g/mol
Exact Mass2502.12
IUPAC Name2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one
SMILESCN1Cc2c(n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c3ccccc23)C1.O=C(Cc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cc(-c3ccccc3)ccc2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3cc4ncoc4cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(N2C(=O)Cc3ccccc3C2=O)c(Cl)c1)CS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C24H20ClN3O4S2.C23H18ClN3O4S2.C23H17ClN2O4S2.C22H15Cl2NO5S2.C22H14ClN3O5S2/c1-27-12-19-17-4-2-3-5-18(17)24(30)28(20(19)13-27)22-8-6-15(11-26-22)10-16(29)14-34(31,32)23-9-7-21(25)33-23;24-20-6-8-22(32-20)33(30,31)13-15(28)9-14-5-7-21(26-10-14)27-19-12-25-11-18(19)16-3-1-2-4-17(16)23(27)29;24-20-8-11-23(31-20)32(29,30)15-19(27)12-16-6-9-21(25-13-16)26-14-18(7-10-22(26)28)17-4-2-1-3-5-17;23-17-10-13(9-15(26)12-32(29,30)21-8-7-19(24)31-21)5-6-18(17)25-20(27)11-14-3-1-2-4-16(14)22(25)28;23-19-2-4-21(32-19)33(29,30)11-15(27)7-13-1-3-20(24-10-13)26-6-5-14-8-17-18(31-12-25-17)9-16(14)22(26)28/h2-9,11H,10,12-14H2,1H3;1-8,10,25H,9,11-13H2;1-11,13-14H,12,15H2;1-8,10H,9,11-12H2;1-6,8-10,12H,7,11H2
InChIKeyLVTOTJNZHAWCBJ-UHFFFAOYSA-N
XLogP19.32
TPSA474.29 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds31
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002507.38
LogP ≤ 519.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one?
The IUPAC name of 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one (CID 159470738) is 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one.
What is the SMILES notation for 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one?
The canonical SMILES for 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one is CN1Cc2c(n(-c3ccc(CC(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)c3ccccc23)C1.O=C(Cc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2cc(-c3ccccc3)ccc2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(-n2ccc3cc4ncoc4cc3c2=O)nc1)CS(=O)(=O)c1ccc(Cl)s1.O=C(Cc1ccc(N2C(=O)Cc3ccccc3C2=O)c(Cl)c1)CS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one?
The InChIKey is LVTOTJNZHAWCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4S2.C23H18ClN3O4S2.C23H17ClN2O4S2.C22H15Cl2NO5S2.C22H14ClN3O5S2/c1-27-12-19-17-4-2-3-5-18(17)24(30)28(20(19)13-27)22-8-6-15(11-26-22)10-16(29)14-34(31,32)23-9-7-21(25)33-23;24-20-6-8-22(32-20)33(30,31)13-15(28)9-14-5-7-21(26-10-14)27-19-12-25-11-18(19)16-3-1-2-4-17(16)23(27)29;24-20-8-11-23(31-20)32(29,30)15-19(27)12-16-6-9-21(25-13-16)26-14-18(7-10-22(26)28)17-4-2-1-3-5-17;23-17-10-13(9-15(26)12-32(29,30)21-8-7-19(24)31-21)5-6-18(17)25-20(27)11-14-3-1-2-4-16(14)22(25)28;23-19-2-4-21(32-19)33(29,30)11-15(27)7-13-1-3-20(24-10-13)26-6-5-14-8-17-18(31-12-25-17)9-16(14)22(26)28/h2-9,11H,10,12-14H2,1H3;1-8,10,25H,9,11-13H2;1-11,13-14H,12,15H2;1-8,10H,9,11-12H2;1-6,8-10,12H,7,11H2.
What are the key properties of 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one?
2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one has a molecular weight of 2507.38 g/mol, XLogP of 19.32, 31 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]phenyl]-4H-isoquinoline-1,3-dione;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2,3-dihydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;4-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-c]isoquinolin-5-one;6-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]oxazolo[4,5-g]isoquinolin-5-one;1-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one is sourced from PubChem (CID 159470738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).