N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide

C110H119Cl3F19N23O24S5 — CID 163614006

About N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide

N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 163614006) has the molecular formula C110H119Cl3F19N23O24S5 and a molecular weight of 2774.95 g/mol. Its IUPAC name is N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide
• PubChem CID: 163614006
• Molecular Formula: C110H119Cl3F19N23O24S5
• Molecular Weight: 2774.95 g/mol
• Exact Mass: 2771.62
• IUPAC Name: N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide
• SMILES: CN(c1cc(C(F)(F)F)ccc1N)S(C)(=O)=O.CN(c1cc(C(F)(F)F)ccc1Nc1cc(CC(=O)C2CC2)nc2c1c(=O)n(C)n2C1CCCCO1)S(C)(=O)=O.CN(c1cc(C(F)(F)F)ccc1Nc1cc(Cl)nc2c1c(=O)n(C)n2C1CCCCO1)S(C)(=O)=O.CN(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])S(C)(=O)=O.CN1Cc2nc(CC(=O)C3CC3)cc(Nc3ccc(C(F)(F)F)cc3N(C)S(C)(=O)=O)c2C1=O.Cn1c(=O)c2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.O=[N+]([O-])c1ccc(C(F)(F)F)cc1F
• InChI: InChI=1S/C26H30F3N5O5S.C22H23F3N4O4S.C21H23ClF3N5O4S.C12H13Cl2N3O2.C9H9F3N2O4S.C9H11F3N2O2S.C7H3F4NO2.C4H7NO/c1-32-25(36)23-19(31-18-10-9-16(26(27,28)29)12-20(18)33(2)40(3,37)38)13-17(14-21(35)15-7-8-15)30-24(23)34(32)22-6-4-5-11-39-22;1-28-11-17-20(21(28)31)16(9-14(26-17)10-19(30)12-4-5-12)27-15-7-6-13(22(23,24)25)8-18(15)29(2)34(3,32)33;1-28-20(31)18-14(11-16(22)27-19(18)30(28)17-6-4-5-9-34-17)26-13-8-7-12(21(23,24)25)10-15(13)29(2)35(3,32)33;1-16-12(18)10-7(13)6-8(14)15-11(10)17(16)9-4-2-3-5-19-9;1-13(19(2,17)18)8-5-6(9(10,11)12)3-4-7(8)14(15)16;1-14(17(2,15)16)8-5-6(9(10,11)12)3-4-7(8)13;8-5-3-4(7(9,10)11)1-2-6(5)12(13)14;5-4(6)3-1-2-3/h9-10,12-13,15,22H,4-8,11,14H2,1-3H3,(H,30,31);6-9,12H,4-5,10-11H2,1-3H3,(H,26,27);7-8,10-11,17H,4-6,9H2,1-3H3,(H,26,27);6,9H,2-5H2,1H3;3-5H,1-2H3;3-5H,13H2,1-2H3;1-3H;3H,1-2H2,(H2,5,6)
• InChIKey: HIKPIBLGRUREDM-UHFFFAOYSA-N
• XLogP: 20.77
• TPSA: 592.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2774.95
LogP ≤ 5	20.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide?

The IUPAC name of N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide (CID 163614006) is N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide.

What is the SMILES notation for N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide?

The canonical SMILES for N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide is CN(c1cc(C(F)(F)F)ccc1N)S(C)(=O)=O.CN(c1cc(C(F)(F)F)ccc1Nc1cc(CC(=O)C2CC2)nc2c1c(=O)n(C)n2C1CCCCO1)S(C)(=O)=O.CN(c1cc(C(F)(F)F)ccc1Nc1cc(Cl)nc2c1c(=O)n(C)n2C1CCCCO1)S(C)(=O)=O.CN(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])S(C)(=O)=O.CN1Cc2nc(CC(=O)C3CC3)cc(Nc3ccc(C(F)(F)F)cc3N(C)S(C)(=O)=O)c2C1=O.Cn1c(=O)c2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.O=[N+]([O-])c1ccc(C(F)(F)F)cc1F.

What is the InChIKey of N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide?

The InChIKey is HIKPIBLGRUREDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5O5S.C22H23F3N4O4S.C21H23ClF3N5O4S.C12H13Cl2N3O2.C9H9F3N2O4S.C9H11F3N2O2S.C7H3F4NO2.C4H7NO/c1-32-25(36)23-19(31-18-10-9-16(26(27,28)29)12-20(18)33(2)40(3,37)38)13-17(14-21(35)15-7-8-15)30-24(23)34(32)22-6-4-5-11-39-22;1-28-11-17-20(21(28)31)16(9-14(26-17)10-19(30)12-4-5-12)27-15-7-6-13(22(23,24)25)8-18(15)29(2)34(3,32)33;1-28-20(31)18-14(11-16(22)27-19(18)30(28)17-6-4-5-9-34-17)26-13-8-7-12(21(23,24)25)10-15(13)29(2)35(3,32)33;1-16-12(18)10-7(13)6-8(14)15-11(10)17(16)9-4-2-3-5-19-9;1-13(19(2,17)18)8-5-6(9(10,11)12)3-4-7(8)14(15)16;1-14(17(2,15)16)8-5-6(9(10,11)12)3-4-7(8)13;8-5-3-4(7(9,10)11)1-2-6(5)12(13)14;5-4(6)3-1-2-3/h9-10,12-13,15,22H,4-8,11,14H2,1-3H3,(H,30,31);6-9,12H,4-5,10-11H2,1-3H3,(H,26,27);7-8,10-11,17H,4-6,9H2,1-3H3,(H,26,27);6,9H,2-5H2,1H3;3-5H,1-2H3;3-5H,13H2,1-2H3;1-3H;3H,1-2H2,(H2,5,6).

What are the key properties of N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide?

N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 2774.95 g/mol, XLogP of 20.77, 28 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[2-[[6-(2-cyclopropyl-2-oxoethyl)-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-1-nitro-4-(trifluoromethyl)benzene;N-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 163614006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).