5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid

C95H59Cl4F9N12O21S5 — CID 159961866

About 5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid

5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid (PubChem CID 159961866) has the molecular formula C95H59Cl4F9N12O21S5 and a molecular weight of 2177.71 g/mol. Its IUPAC name is 5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid
• PubChem CID: 159961866
• Molecular Formula: C95H59Cl4F9N12O21S5
• Molecular Weight: 2177.71 g/mol
• Exact Mass: 2174.11
• IUPAC Name: 5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid
• SMILES: CCOC(=O)c1ccc(Cn2c(C(=O)O)c(N3C(=O)Cc4cscc4C3=O)c3cc(C(F)(F)F)ccc32)o1.Cn1c(C(=O)NS(=O)(=O)c2c(F)cccc2F)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21.Cn1c(C(=O)NS(=O)(=O)c2cc(Cl)c(Cl)s2)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21.O=C(O)c1c(N2C(=O)Cc3cscc3C2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccc(F)cc1
• InChI: InChI=1S/C25H17F3N2O7S.C24H15ClF2N4O5S.C24H14F4N2O4S.C22H13Cl3N4O5S2/c1-2-36-24(35)18-6-4-14(37-18)9-29-17-5-3-13(25(26,27)28)8-15(17)20(21(29)23(33)34)30-19(31)7-12-10-38-11-16(12)22(30)32;1-30-18-10-9-12(25)11-14(18)19(31-23(33)13-5-2-3-8-17(13)28-24(31)34)20(30)22(32)29-37(35,36)21-15(26)6-4-7-16(21)27;25-15-4-1-12(2-5-15)9-29-18-6-3-14(24(26,27)28)8-16(18)20(21(29)23(33)34)30-19(31)7-13-10-35-11-17(13)22(30)32;1-28-15-7-6-10(23)8-12(15)17(29-21(31)11-4-2-3-5-14(11)26-22(29)32)18(28)20(30)27-36(33,34)16-9-13(24)19(25)35-16/h3-6,8,10-11H,2,7,9H2,1H3,(H,33,34);2-11H,1H3,(H,28,34)(H,29,32);1-6,8,10-11H,7,9H2,(H,33,34);2-9H,1H3,(H,26,32)(H,27,30)
• InChIKey: ODKYWWNOBOGBJM-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 444.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2177.71
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid?

The IUPAC name of 5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid (CID 159961866) is 5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid.

What is the SMILES notation for 5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid?

The canonical SMILES for 5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid is CCOC(=O)c1ccc(Cn2c(C(=O)O)c(N3C(=O)Cc4cscc4C3=O)c3cc(C(F)(F)F)ccc32)o1.Cn1c(C(=O)NS(=O)(=O)c2c(F)cccc2F)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21.Cn1c(C(=O)NS(=O)(=O)c2cc(Cl)c(Cl)s2)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21.O=C(O)c1c(N2C(=O)Cc3cscc3C2=O)c2cc(C(F)(F)F)ccc2n1Cc1ccc(F)cc1.

What is the InChIKey of 5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid?

The InChIKey is ODKYWWNOBOGBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2O7S.C24H15ClF2N4O5S.C24H14F4N2O4S.C22H13Cl3N4O5S2/c1-2-36-24(35)18-6-4-14(37-18)9-29-17-5-3-13(25(26,27)28)8-15(17)20(21(29)23(33)34)30-19(31)7-12-10-38-11-16(12)22(30)32;1-30-18-10-9-12(25)11-14(18)19(31-23(33)13-5-2-3-8-17(13)28-24(31)34)20(30)22(32)29-37(35,36)21-15(26)6-4-7-16(21)27;25-15-4-1-12(2-5-15)9-29-18-6-3-14(24(26,27)28)8-16(18)20(21(29)23(33)34)30-19(31)7-13-10-35-11-17(13)22(30)32;1-28-15-7-6-10(23)8-12(15)17(29-21(31)11-4-2-3-5-14(11)26-22(29)32)18(28)20(30)27-36(33,34)16-9-13(24)19(25)35-16/h3-6,8,10-11H,2,7,9H2,1H3,(H,33,34);2-11H,1H3,(H,28,34)(H,29,32);1-6,8,10-11H,7,9H2,(H,33,34);2-9H,1H3,(H,26,32)(H,27,30).

What are the key properties of 5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid?

5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid has a molecular weight of 2177.71 g/mol, XLogP of 17.84, 18 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(2,6-difluorophenyl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(5-ethoxycarbonylfuran-2-yl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid;3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)indole-2-carboxylic acid is sourced from PubChem (CID 159961866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).