3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide

C116H78Cl7F8N29O30S12 — CID 159385273

About 3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide

3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide (PubChem CID 159385273) has the molecular formula C116H78Cl7F8N29O30S12 and a molecular weight of 3143.03 g/mol. Its IUPAC name is 3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide
• PubChem CID: 159385273
• Molecular Formula: C116H78Cl7F8N29O30S12
• Molecular Weight: 3143.03 g/mol
• Exact Mass: 3136.98
• IUPAC Name: 3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide
• SMILES: CNc1ccc2c(=O)n(-c3c(F)cc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3c(F)cc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3c(F)cc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)nn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3cnc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ncc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1
• InChI: InChI=1S/C21H13ClF4N4O5S2.C20H13Cl2FN4O5S2.C20H13ClF2N4O5S2.C19H13ClFN5O5S2.2C18H13ClN6O5S2/c1-27-10-2-3-11-14(8-10)28-20(33)30(19(11)32)17-12(21(24,25)26)6-9(7-13(17)23)18(31)29-37(34,35)16-5-4-15(22)36-16;1-24-10-2-3-11-14(8-10)25-20(30)27(19(11)29)17-12(21)6-9(7-13(17)23)18(28)26-34(31,32)16-5-4-15(22)33-16;1-24-10-2-3-11-14(8-10)25-20(30)27(19(11)29)17-12(22)6-9(7-13(17)23)18(28)26-34(31,32)16-5-4-15(21)33-16;1-22-10-2-3-11-13(7-10)24-19(29)26(18(11)28)16-12(21)6-9(8-23-16)17(27)25-33(30,31)15-5-4-14(20)32-15;1-20-9-2-3-10-12(8-9)21-18(28)25(17(10)27)14-6-4-11(22-23-14)16(26)24-32(29,30)15-7-5-13(19)31-15;1-20-9-2-3-10-11(6-9)23-18(28)25(17(10)27)14-8-21-12(7-22-14)16(26)24-32(29,30)15-5-4-13(19)31-15/h2-8,27H,1H3,(H,28,33)(H,29,31);2*2-8,24H,1H3,(H,25,30)(H,26,28);2-8,22H,1H3,(H,24,29)(H,25,27);2-8,20H,1H3,(H,21,28)(H,24,26);2-8,20H,1H3,(H,23,28)(H,24,26)
• InChIKey: LLKKAJVONIWOGG-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 845.23 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 53
• Rotatable Bonds: 30
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3143.03
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide?

The IUPAC name of 3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide (CID 159385273) is 3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide.

What is the SMILES notation for 3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide?

The canonical SMILES for 3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide is CNc1ccc2c(=O)n(-c3c(F)cc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3c(F)cc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3c(F)cc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ccc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)nn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3cnc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cn3)c(=O)[nH]c2c1.CNc1ccc2c(=O)n(-c3ncc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)[nH]c2c1.

What is the InChIKey of 3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide?

The InChIKey is LLKKAJVONIWOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF4N4O5S2.C20H13Cl2FN4O5S2.C20H13ClF2N4O5S2.C19H13ClFN5O5S2.2C18H13ClN6O5S2/c1-27-10-2-3-11-14(8-10)28-20(33)30(19(11)32)17-12(21(24,25)26)6-9(7-13(17)23)18(31)29-37(34,35)16-5-4-15(22)36-16;1-24-10-2-3-11-14(8-10)25-20(30)27(19(11)29)17-12(21)6-9(7-13(17)23)18(28)26-34(31,32)16-5-4-15(22)33-16;1-24-10-2-3-11-14(8-10)25-20(30)27(19(11)29)17-12(22)6-9(7-13(17)23)18(28)26-34(31,32)16-5-4-15(21)33-16;1-22-10-2-3-11-13(7-10)24-19(29)26(18(11)28)16-12(21)6-9(8-23-16)17(27)25-33(30,31)15-5-4-14(20)32-15;1-20-9-2-3-10-12(8-9)21-18(28)25(17(10)27)14-6-4-11(22-23-14)16(26)24-32(29,30)15-7-5-13(19)31-15;1-20-9-2-3-10-11(6-9)23-18(28)25(17(10)27)14-8-21-12(7-22-14)16(26)24-32(29,30)15-5-4-13(19)31-15/h2-8,27H,1H3,(H,28,33)(H,29,31);2*2-8,24H,1H3,(H,25,30)(H,26,28);2-8,22H,1H3,(H,24,29)(H,25,27);2-8,20H,1H3,(H,21,28)(H,24,26);2-8,20H,1H3,(H,23,28)(H,24,26).

What are the key properties of 3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide?

3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide has a molecular weight of 3143.03 g/mol, XLogP of 14.67, 30 rotatable bonds, 18 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridine-3-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)benzamide;N-(5-chlorothiophen-2-yl)sulfonyl-5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazine-2-carboxamide;N-(5-chlorothiophen-2-yl)sulfonyl-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 159385273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).