(4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide

C95H83F18N11O28S3 — CID 157344215

About (4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide

(4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide (PubChem CID 157344215) has the molecular formula C95H83F18N11O28S3 and a molecular weight of 2264.92 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: (4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide
• PubChem CID: 157344215
• Molecular Formula: C95H83F18N11O28S3
• Molecular Weight: 2264.92 g/mol
• Exact Mass: 2263.43
• IUPAC Name: (4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide
• SMILES: CCOC(=O)c1c(C(=O)OCC)c(O)c2ncccc2c1O.CCOC(=O)c1cccnc1C(=O)OCC.Cc1cc(CS(N)(=O)=O)ccc1N.Cc1cc(CS(N)(=O)=O)ccc1N1C(=O)c2c(c(OCC(F)(F)F)c3ncccc3c2OCC(F)(F)F)C1=O.Cc1cc(CS(N)(=O)=O)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O.O=C1OC(=O)c2c1c(OCC(F)(F)F)c1cccnc1c2OCC(F)(F)F
• InChI: InChI=1S/C23H17F6N3O6S.C23H19F6N3O5S.C15H7F6NO5.C15H15NO6.C11H13NO4.C8H12N2O2S/c1-11-7-12(8-39(30,35)36)4-5-14(11)32-20(33)15-16(21(32)34)19(38-10-23(27,28)29)17-13(3-2-6-31-17)18(15)37-9-22(24,25)26;1-12-7-13(9-38(30,34)35)4-5-16(12)32-8-15-17(21(32)33)19(36-10-22(24,25)26)14-3-2-6-31-18(14)20(15)37-11-23(27,28)29;16-14(17,18)4-25-10-6-2-1-3-22-9(6)11(26-5-15(19,20)21)8-7(10)12(23)27-13(8)24;1-3-21-14(19)9-10(15(20)22-4-2)13(18)11-8(12(9)17)6-5-7-16-11;1-3-15-10(13)8-6-5-7-12-9(8)11(14)16-4-2;1-6-4-7(2-3-8(6)9)5-13(10,11)12/h2-7H,8-10H2,1H3,(H2,30,35,36);2-7H,8-11H2,1H3,(H2,30,34,35);1-3H,4-5H2;5-7,17-18H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;2-4H,5,9H2,1H3,(H2,10,11,12)
• InChIKey: BGTLRRMLPVRJTQ-UHFFFAOYSA-N
• XLogP: 15.62
• TPSA: 573.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 28
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2264.92
LogP ≤ 5	15.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide?

The IUPAC name of (4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide (CID 157344215) is (4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide.

What is the SMILES notation for (4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide?

The canonical SMILES for (4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide is CCOC(=O)c1c(C(=O)OCC)c(O)c2ncccc2c1O.CCOC(=O)c1cccnc1C(=O)OCC.Cc1cc(CS(N)(=O)=O)ccc1N.Cc1cc(CS(N)(=O)=O)ccc1N1C(=O)c2c(c(OCC(F)(F)F)c3ncccc3c2OCC(F)(F)F)C1=O.Cc1cc(CS(N)(=O)=O)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O.O=C1OC(=O)c2c1c(OCC(F)(F)F)c1cccnc1c2OCC(F)(F)F.

What is the InChIKey of (4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide?

The InChIKey is BGTLRRMLPVRJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N3O6S.C23H19F6N3O5S.C15H7F6NO5.C15H15NO6.C11H13NO4.C8H12N2O2S/c1-11-7-12(8-39(30,35)36)4-5-14(11)32-20(33)15-16(21(32)34)19(38-10-23(27,28)29)17-13(3-2-6-31-17)18(15)37-9-22(24,25)26;1-12-7-13(9-38(30,34)35)4-5-16(12)32-8-15-17(21(32)33)19(36-10-22(24,25)26)14-3-2-6-31-18(14)20(15)37-11-23(27,28)29;16-14(17,18)4-25-10-6-2-1-3-22-9(6)11(26-5-15(19,20)21)8-7(10)12(23)27-13(8)24;1-3-21-14(19)9-10(15(20)22-4-2)13(18)11-8(12(9)17)6-5-7-16-11;1-3-15-10(13)8-6-5-7-12-9(8)11(14)16-4-2;1-6-4-7(2-3-8(6)9)5-13(10,11)12/h2-7H,8-10H2,1H3,(H2,30,35,36);2-7H,8-11H2,1H3,(H2,30,34,35);1-3H,4-5H2;5-7,17-18H,3-4H2,1-2H3;5-7H,3-4H2,1-2H3;2-4H,5,9H2,1H3,(H2,10,11,12).

What are the key properties of (4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide?

(4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide has a molecular weight of 2264.92 g/mol, XLogP of 15.62, 28 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (4-amino-3-methylphenyl)methanesulfonamide;5,9-bis(2,2,2-trifluoroethoxy)furo[3,4-g]quinoline-6,8-dione;diethyl 5,8-dihydroxyquinoline-6,7-dicarboxylate;diethyl pyridine-2,3-dicarboxylate;[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide;[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 157344215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).