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

C91H60BrCl4F4N15O20S6 — CID 159313848

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

N-(5-bromothiophen-2-yl)sulfonyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)sulfonyl-1-methylindole-2-carboxamide;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-5-(trifluoromethyl)indole-2-carboxylic acid (PubChem CID 159313848) has the molecular formula C91H60BrCl4F4N15O20S6 and a molecular weight of 2173.68 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)sulfonyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)sulfonyl-1-methylindole-2-carboxamide;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-5-(trifluoromethyl)indole-2-carboxylic acid.

Molecular Properties

• Compound Name: N-(5-bromothiophen-2-yl)sulfonyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)sulfonyl-1-methylindole-2-carboxamide;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-5-(trifluoromethyl)indole-2-carboxylic acid
• PubChem CID: 159313848
• Molecular Formula: C91H60BrCl4F4N15O20S6
• Molecular Weight: 2173.68 g/mol
• Exact Mass: 2169.03
• IUPAC Name: N-(5-bromothiophen-2-yl)sulfonyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)sulfonyl-1-methylindole-2-carboxamide;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-5-(trifluoromethyl)indole-2-carboxylic acid
• SMILES: Cc1noc(C)c1Cn1c(C(=O)O)c(N2C(=O)Cc3cscc3C2=O)c2cc(C(F)(F)F)ccc21.Cn1c(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21.Cn1c(C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21.Cn1c(C(=O)NS(=O)(=O)c2cccc(F)c2)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21
• InChI: InChI=1S/C24H16ClFN4O5S.C23H16F3N3O5S.C22H14BrClN4O5S2.C22H14Cl2N4O5S2/c1-29-19-10-9-13(25)11-17(19)20(30-23(32)16-7-2-3-8-18(16)27-24(30)33)21(29)22(31)28-36(34,35)15-6-4-5-14(26)12-15;1-10-15(11(2)34-27-10)7-28-17-4-3-13(23(24,25)26)6-14(17)19(20(28)22(32)33)29-18(30)5-12-8-35-9-16(12)21(29)31;1-27-15-7-6-11(24)10-13(15)18(28-21(30)12-4-2-3-5-14(12)25-22(28)31)19(27)20(29)26-35(32,33)17-9-8-16(23)34-17;1-27-15-7-6-11(23)10-13(15)18(28-21(30)12-4-2-3-5-14(12)25-22(28)31)19(27)20(29)26-35(32,33)17-9-8-16(24)34-17/h2-12H,1H3,(H,27,33)(H,28,31);3-4,6,8-9H,5,7H2,1-2H3,(H,32,33);2*2-10H,1H3,(H,25,31)(H,26,29)
• InChIKey: LCWPXRYYAYIOBD-UHFFFAOYSA-N
• XLogP: 15.31
• TPSA: 474.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 16
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2173.68
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(5-bromothiophen-2-yl)sulfonyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)sulfonyl-1-methylindole-2-carboxamide;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-5-(trifluoromethyl)indole-2-carboxylic acid (CID 159313848) is N-(5-bromothiophen-2-yl)sulfonyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)sulfonyl-1-methylindole-2-carboxamide;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-5-(trifluoromethyl)indole-2-carboxylic acid.

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

The canonical SMILES for N-(5-bromothiophen-2-yl)sulfonyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)sulfonyl-1-methylindole-2-carboxamide;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-5-(trifluoromethyl)indole-2-carboxylic acid is Cc1noc(C)c1Cn1c(C(=O)O)c(N2C(=O)Cc3cscc3C2=O)c2cc(C(F)(F)F)ccc21.Cn1c(C(=O)NS(=O)(=O)c2ccc(Br)s2)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21.Cn1c(C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21.Cn1c(C(=O)NS(=O)(=O)c2cccc(F)c2)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21.

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

The InChIKey is LCWPXRYYAYIOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4O5S.C23H16F3N3O5S.C22H14BrClN4O5S2.C22H14Cl2N4O5S2/c1-29-19-10-9-13(25)11-17(19)20(30-23(32)16-7-2-3-8-18(16)27-24(30)33)21(29)22(31)28-36(34,35)15-6-4-5-14(26)12-15;1-10-15(11(2)34-27-10)7-28-17-4-3-13(23(24,25)26)6-14(17)19(20(28)22(32)33)29-18(30)5-12-8-35-9-16(12)21(29)31;1-27-15-7-6-11(24)10-13(15)18(28-21(30)12-4-2-3-5-14(12)25-22(28)31)19(27)20(29)26-35(32,33)17-9-8-16(23)34-17;1-27-15-7-6-11(23)10-13(15)18(28-21(30)12-4-2-3-5-14(12)25-22(28)31)19(27)20(29)26-35(32,33)17-9-8-16(24)34-17/h2-12H,1H3,(H,27,33)(H,28,31);3-4,6,8-9H,5,7H2,1-2H3,(H,32,33);2*2-10H,1H3,(H,25,31)(H,26,29).

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

N-(5-bromothiophen-2-yl)sulfonyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)sulfonyl-1-methylindole-2-carboxamide;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-5-(trifluoromethyl)indole-2-carboxylic acid has a molecular weight of 2173.68 g/mol, XLogP of 15.31, 16 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromothiophen-2-yl)sulfonyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-N-(5-chlorothiophen-2-yl)sulfonyl-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide;5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)sulfonyl-1-methylindole-2-carboxamide;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4,6-dioxo-7H-thieno[3,4-c]pyridin-5-yl)-5-(trifluoromethyl)indole-2-carboxylic acid is sourced from PubChem (CID 159313848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).