3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide

C98H65Cl5F5N19O26S10 — CID 159545824

About 3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide

3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide (PubChem CID 159545824) has the molecular formula C98H65Cl5F5N19O26S10 and a molecular weight of 2517.63 g/mol. Its IUPAC name is 3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide
• PubChem CID: 159545824
• Molecular Formula: C98H65Cl5F5N19O26S10
• Molecular Weight: 2517.63 g/mol
• Exact Mass: 2512.99
• IUPAC Name: 3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide
• SMILES: COc1nc(-n2c(=O)[nH]c3cc(C)ccc3c2=O)ncc1C(=O)NS(=O)(=O)c1ccc(Cl)s1.Cc1ccc2c(=O)n(-c3c(F)cc(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)nn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3cnc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ncc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1
• InChI: InChI=1S/C22H13ClF4N2O5S2.C19H12ClFN4O5S2.C19H14ClN5O6S2.2C19H13ClN4O5S2/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)24)16(30)9-36(33,34)18-5-4-17(23)35-18;1-9-2-3-11-13(6-9)23-19(28)25(18(11)27)16-12(21)7-10(8-22-16)17(26)24-32(29,30)15-5-4-14(20)31-15;1-9-3-4-10-12(7-9)22-19(28)25(17(10)27)18-21-8-11(16(23-18)31-2)15(26)24-33(29,30)14-6-5-13(20)32-14;1-10-2-3-11-13(8-10)21-19(27)24(18(11)26)16-6-4-12(22-23-16)14(25)9-31(28,29)17-7-5-15(20)30-17;1-10-2-3-11-12(6-10)23-19(27)24(18(11)26)16-8-21-13(7-22-16)14(25)9-31(28,29)17-5-4-15(20)30-17/h2-8H,9H2,1H3,(H,28,32);2-8H,1H3,(H,23,28)(H,24,26);3-8H,1-2H3,(H,22,28)(H,24,26);2-8H,9H2,1H3,(H,21,27);2-8H,9H2,1H3,(H,23,27)
• InChIKey: MEUBBAWOLJEFCZ-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 653.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 24
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2517.63
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide?

The IUPAC name of 3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide (CID 159545824) is 3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide.

What is the SMILES notation for 3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide?

The canonical SMILES for 3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide is COc1nc(-n2c(=O)[nH]c3cc(C)ccc3c2=O)ncc1C(=O)NS(=O)(=O)c1ccc(Cl)s1.Cc1ccc2c(=O)n(-c3c(F)cc(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)nn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3cnc(C(=O)CS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.Cc1ccc2c(=O)n(-c3ncc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.

What is the InChIKey of 3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide?

The InChIKey is MEUBBAWOLJEFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF4N2O5S2.C19H12ClFN4O5S2.C19H14ClN5O6S2.2C19H13ClN4O5S2/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)24)16(30)9-36(33,34)18-5-4-17(23)35-18;1-9-2-3-11-13(6-9)23-19(28)25(18(11)27)16-12(21)7-10(8-22-16)17(26)24-32(29,30)15-5-4-14(20)31-15;1-9-3-4-10-12(7-9)22-19(28)25(17(10)27)18-21-8-11(16(23-18)31-2)15(26)24-33(29,30)14-6-5-13(20)32-14;1-10-2-3-11-13(8-10)21-19(27)24(18(11)26)16-6-4-12(22-23-16)14(25)9-31(28,29)17-7-5-15(20)30-17;1-10-2-3-11-12(6-10)23-19(27)24(18(11)26)16-8-21-13(7-22-16)14(25)9-31(28,29)17-5-4-15(20)30-17/h2-8H,9H2,1H3,(H,28,32);2-8H,1H3,(H,23,28)(H,24,26);3-8H,1-2H3,(H,22,28)(H,24,26);2-8H,9H2,1H3,(H,21,27);2-8H,9H2,1H3,(H,23,27).

What are the key properties of 3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide?

3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide has a molecular weight of 2517.63 g/mol, XLogP of 12.79, 24 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione;3-[6-[2-(5-chlorothiophen-2-yl)sulfonylacetyl]pyridazin-3-yl]-7-methyl-1H-quinazoline-2,4-dione;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-2-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 159545824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).