3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione

C112H76Cl11F7N10O25S10 — CID 158383458

About 3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione

3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione (PubChem CID 158383458) has the molecular formula C112H76Cl11F7N10O25S10 and a molecular weight of 2805.52 g/mol. Its IUPAC name is 3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione
• PubChem CID: 158383458
• Molecular Formula: C112H76Cl11F7N10O25S10
• Molecular Weight: 2805.52 g/mol
• Exact Mass: 2797.87
• IUPAC Name: 3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione
• SMILES: Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3C)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3F)c(=O)[nH]c2c1
• InChI: InChI=1S/C23H15Cl2F3N2O5S2.C23H18Cl2N2O5S2.C22H14Cl3FN2O5S2.C22H14Cl2F2N2O5S2.C22H15Cl2FN2O5S2/c1-11-2-4-14-17(6-11)29-22(33)30(21(14)32)18-5-3-12(8-15(18)23(26,27)28)7-13(31)10-37(34,35)19-9-16(24)20(25)36-19;1-12-3-5-16-18(7-12)26-23(30)27(22(16)29)19-6-4-14(8-13(19)2)9-15(28)11-34(31,32)20-10-17(24)21(25)33-20;1-10-2-3-13-17(4-10)27-22(31)28(21(13)30)19-14(23)6-11(7-16(19)26)5-12(29)9-35(32,33)18-8-15(24)20(25)34-18;1-10-2-3-13-17(4-10)27-22(31)28(21(13)30)19-15(25)6-11(7-16(19)26)5-12(29)9-35(32,33)18-8-14(23)20(24)34-18;1-11-2-4-14-17(6-11)26-22(30)27(21(14)29)18-5-3-12(8-16(18)25)7-13(28)10-34(31,32)19-9-15(23)20(24)33-19/h2-6,8-9H,7,10H2,1H3,(H,29,33);3-8,10H,9,11H2,1-2H3,(H,26,30);2*2-4,6-8H,5,9H2,1H3,(H,27,31);2-6,8-9H,7,10H2,1H3,(H,26,30)
• InChIKey: GWBUJUOGDRUPNR-UHFFFAOYSA-N
• XLogP: 22.24
• TPSA: 530.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 30
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2805.52
LogP ≤ 5	22.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione?

The IUPAC name of 3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione (CID 158383458) is 3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione.

What is the SMILES notation for 3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione?

The canonical SMILES for 3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione is Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3Cl)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3C)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(CC(=O)CS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3F)c(=O)[nH]c2c1.

What is the InChIKey of 3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione?

The InChIKey is GWBUJUOGDRUPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2F3N2O5S2.C23H18Cl2N2O5S2.C22H14Cl3FN2O5S2.C22H14Cl2F2N2O5S2.C22H15Cl2FN2O5S2/c1-11-2-4-14-17(6-11)29-22(33)30(21(14)32)18-5-3-12(8-15(18)23(26,27)28)7-13(31)10-37(34,35)19-9-16(24)20(25)36-19;1-12-3-5-16-18(7-12)26-23(30)27(22(16)29)19-6-4-14(8-13(19)2)9-15(28)11-34(31,32)20-10-17(24)21(25)33-20;1-10-2-3-13-17(4-10)27-22(31)28(21(13)30)19-14(23)6-11(7-16(19)26)5-12(29)9-35(32,33)18-8-15(24)20(25)34-18;1-10-2-3-13-17(4-10)27-22(31)28(21(13)30)19-15(25)6-11(7-16(19)26)5-12(29)9-35(32,33)18-8-14(23)20(24)34-18;1-11-2-4-14-17(6-11)26-22(30)27(21(14)29)18-5-3-12(8-16(18)25)7-13(28)10-34(31,32)19-9-15(23)20(24)33-19/h2-6,8-9H,7,10H2,1H3,(H,29,33);3-8,10H,9,11H2,1-2H3,(H,26,30);2*2-4,6-8H,5,9H2,1H3,(H,27,31);2-6,8-9H,7,10H2,1H3,(H,26,30).

What are the key properties of 3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione?

3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione has a molecular weight of 2805.52 g/mol, XLogP of 22.24, 30 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-chloro-4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(4,5-dichlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 158383458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).