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-3-fluoro-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

C100H66Cl6F9N21O25S10 — CID 159581829

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-3-fluoro-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

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-3-fluoro-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 (PubChem CID 159581829) has the molecular formula C100H66Cl6F9N21O25S10 and a molecular weight of 2666.12 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-3-fluoro-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.

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-3-fluoro-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
• PubChem CID: 159581829
• Molecular Formula: C100H66Cl6F9N21O25S10
• Molecular Weight: 2666.12 g/mol
• Exact Mass: 2660.97
• 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-3-fluoro-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
• 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)cc3F)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.C20H14ClFN4O5S2.C19H13ClFN5O5S2/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;1-23-11-3-4-12-14(9-11)24-20(29)26(19(12)28)15-5-2-10(8-13(15)22)18(27)25-33(30,31)17-7-6-16(21)32-17;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/h2-8,27H,1H3,(H,28,33)(H,29,31);2*2-8,24H,1H3,(H,25,30)(H,26,28);2-9,23H,1H3,(H,24,29)(H,25,27);2-8,22H,1H3,(H,24,29)(H,25,27)
• InChIKey: MJCOIODDWUFLEU-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 663.54 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 41
• Rotatable Bonds: 25
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2666.12
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	41

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-3-fluoro-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?

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-3-fluoro-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 (CID 159581829) 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-3-fluoro-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.

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-3-fluoro-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?

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-3-fluoro-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 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)cc3F)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-3-fluoro-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?

The InChIKey is MJCOIODDWUFLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF4N4O5S2.C20H13Cl2FN4O5S2.C20H13ClF2N4O5S2.C20H14ClFN4O5S2.C19H13ClFN5O5S2/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;1-23-11-3-4-12-14(9-11)24-20(29)26(19(12)28)15-5-2-10(8-13(15)22)18(27)25-33(30,31)17-7-6-16(21)32-17;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/h2-8,27H,1H3,(H,28,33)(H,29,31);2*2-8,24H,1H3,(H,25,30)(H,26,28);2-9,23H,1H3,(H,24,29)(H,25,27);2-8,22H,1H3,(H,24,29)(H,25,27).

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-3-fluoro-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?

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-3-fluoro-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 has a molecular weight of 2666.12 g/mol, XLogP of 14.67, 25 rotatable bonds, 15 hydrogen bond donors, and 41 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-3-fluoro-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 is sourced from PubChem (CID 159581829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).