3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide

C107H70Cl6F9N11O25S10 — CID 160701536

About 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide

3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide (PubChem CID 160701536) has the molecular formula C107H70Cl6F9N11O25S10 and a molecular weight of 2614.16 g/mol. Its IUPAC name is 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide.

Molecular Properties

• Compound Name: 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide
• PubChem CID: 160701536
• Molecular Formula: C107H70Cl6F9N11O25S10
• Molecular Weight: 2614.16 g/mol
• Exact Mass: 2608.97
• IUPAC Name: 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide
• SMILES: Cc1ccc2c(=O)n(-c3c(Cl)cc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3C)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1
• InChI: InChI=1S/C22H13Cl2F3N2O5S2.C22H14ClF3N2O5S2.C22H17ClN2O5S2.C21H13ClF2N2O5S2.C20H13ClFN3O5S2/c1-10-2-3-12-15(6-10)28-21(32)29(20(12)31)19-13(22(25,26)27)7-11(8-14(19)23)16(30)9-36(33,34)18-5-4-17(24)35-18;1-11-2-4-13-15(8-11)27-21(31)28(20(13)30)16-5-3-12(9-14(16)22(24,25)26)17(29)10-35(32,33)19-7-6-18(23)34-19;1-12-3-5-15-16(9-12)24-22(28)25(21(15)27)17-6-4-14(10-13(17)2)18(26)11-32(29,30)20-8-7-19(23)31-20;1-10-2-3-12-15(6-10)25-21(29)26(20(12)28)19-13(23)7-11(8-14(19)24)16(27)9-33(30,31)18-5-4-17(22)32-18;1-10-2-4-12-14(8-10)23-20(28)25(19(12)27)15-5-3-11(9-13(15)22)18(26)24-32(29,30)17-7-6-16(21)31-17/h2-8H,9H2,1H3,(H,28,32);2-9H,10H2,1H3,(H,27,31);3-10H,11H2,1-2H3,(H,24,28);2-8H,9H2,1H3,(H,25,29);2-9H,1H3,(H,23,28)(H,24,26)
• InChIKey: RQRHBQLWYZOBAH-UHFFFAOYSA-N
• XLogP: 19.67
• TPSA: 542.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2614.16
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide?

The IUPAC name of 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide (CID 160701536) is 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide.

What is the SMILES notation for 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide?

The canonical SMILES for 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide is Cc1ccc2c(=O)n(-c3c(Cl)cc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3c(F)cc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cc3C)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.

What is the InChIKey of 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide?

The InChIKey is RQRHBQLWYZOBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2F3N2O5S2.C22H14ClF3N2O5S2.C22H17ClN2O5S2.C21H13ClF2N2O5S2.C20H13ClFN3O5S2/c1-10-2-3-12-15(6-10)28-21(32)29(20(12)31)19-13(22(25,26)27)7-11(8-14(19)23)16(30)9-36(33,34)18-5-4-17(24)35-18;1-11-2-4-13-15(8-11)27-21(31)28(20(13)30)16-5-3-12(9-14(16)22(24,25)26)17(29)10-35(32,33)19-7-6-18(23)34-19;1-12-3-5-15-16(9-12)24-22(28)25(21(15)27)17-6-4-14(10-13(17)2)18(26)11-32(29,30)20-8-7-19(23)31-20;1-10-2-3-12-15(6-10)25-21(29)26(20(12)28)19-13(23)7-11(8-14(19)24)16(27)9-33(30,31)18-5-4-17(22)32-18;1-10-2-4-12-14(8-10)23-20(28)25(19(12)27)15-5-3-11(9-13(15)22)18(26)24-32(29,30)17-7-6-16(21)31-17/h2-8H,9H2,1H3,(H,28,32);2-9H,10H2,1H3,(H,27,31);3-10H,11H2,1-2H3,(H,24,28);2-8H,9H2,1H3,(H,25,29);2-9H,1H3,(H,23,28)(H,24,26).

What are the key properties of 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide?

3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide has a molecular weight of 2614.16 g/mol, XLogP of 19.67, 24 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-chloro-4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)benzamide is sourced from PubChem (CID 160701536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).