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

C110H137Cl3FN23O24S5 — CID 158303017

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

N-(2-amino-5-methylphenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-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-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-4-methyl-1-nitrobenzene;N-methyl-N-(5-methyl-2-nitrophenyl)methanesulfonamide (PubChem CID 158303017) has the molecular formula C110H137Cl3FN23O24S5 and a molecular weight of 2451.13 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-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-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-4-methyl-1-nitrobenzene;N-methyl-N-(5-methyl-2-nitrophenyl)methanesulfonamide.

Molecular Properties

• Compound Name: N-(2-amino-5-methylphenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-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-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-4-methyl-1-nitrobenzene;N-methyl-N-(5-methyl-2-nitrophenyl)methanesulfonamide
• PubChem CID: 158303017
• Molecular Formula: C110H137Cl3FN23O24S5
• Molecular Weight: 2451.13 g/mol
• Exact Mass: 2447.79
• IUPAC Name: N-(2-amino-5-methylphenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-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-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-4-methyl-1-nitrobenzene;N-methyl-N-(5-methyl-2-nitrophenyl)methanesulfonamide
• SMILES: Cc1ccc(N)c(N(C)S(C)(=O)=O)c1.Cc1ccc(Nc2cc(CC(=O)C3CC3)nc3c2C(=O)N(C)C3)c(N(C)S(C)(=O)=O)c1.Cc1ccc(Nc2cc(CC(=O)C3CC3)nc3c2c(=O)n(C)n3C2CCCCO2)c(N(C)S(C)(=O)=O)c1.Cc1ccc(Nc2cc(Cl)nc3c2c(=O)n(C)n3C2CCCCO2)c(N(C)S(C)(=O)=O)c1.Cc1ccc([N+](=O)[O-])c(F)c1.Cc1ccc([N+](=O)[O-])c(N(C)S(C)(=O)=O)c1.Cn1c(=O)c2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
• InChI: InChI=1S/C26H33N5O5S.C22H26N4O4S.C21H26ClN5O4S.C12H13Cl2N3O2.C9H12N2O4S.C9H14N2O2S.C7H6FNO2.C4H7NO/c1-16-8-11-19(21(13-16)30(3)37(4,34)35)28-20-14-18(15-22(32)17-9-10-17)27-25-24(20)26(33)29(2)31(25)23-7-5-6-12-36-23;1-13-5-8-16(19(9-13)26(3)31(4,29)30)24-17-10-15(11-20(27)14-6-7-14)23-18-12-25(2)22(28)21(17)18;1-13-8-9-14(16(11-13)26(3)32(4,29)30)23-15-12-17(22)24-20-19(15)21(28)25(2)27(20)18-7-5-6-10-31-18;1-16-12(18)10-7(13)6-8(14)15-11(10)17(16)9-4-2-3-5-19-9;1-7-4-5-8(11(12)13)9(6-7)10(2)16(3,14)15;1-7-4-5-8(10)9(6-7)11(2)14(3,12)13;1-5-2-3-7(9(10)11)6(8)4-5;5-4(6)3-1-2-3/h8,11,13-14,17,23H,5-7,9-10,12,15H2,1-4H3,(H,27,28);5,8-10,14H,6-7,11-12H2,1-4H3,(H,23,24);8-9,11-12,18H,5-7,10H2,1-4H3,(H,23,24);6,9H,2-5H2,1H3;4-6H,1-3H3;4-6H,10H2,1-3H3;2-4H,1H3;3H,1-2H2,(H2,5,6)
• InChIKey: GMSOXFCHFWSFEC-UHFFFAOYSA-N
• XLogP: 16.51
• TPSA: 592.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2451.13
LogP ≤ 5	16.51
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-methylphenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-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-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-4-methyl-1-nitrobenzene;N-methyl-N-(5-methyl-2-nitrophenyl)methanesulfonamide?

The IUPAC name of N-(2-amino-5-methylphenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-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-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-4-methyl-1-nitrobenzene;N-methyl-N-(5-methyl-2-nitrophenyl)methanesulfonamide (CID 158303017) is N-(2-amino-5-methylphenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-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-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-4-methyl-1-nitrobenzene;N-methyl-N-(5-methyl-2-nitrophenyl)methanesulfonamide.

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

The canonical SMILES for N-(2-amino-5-methylphenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-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-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-4-methyl-1-nitrobenzene;N-methyl-N-(5-methyl-2-nitrophenyl)methanesulfonamide is Cc1ccc(N)c(N(C)S(C)(=O)=O)c1.Cc1ccc(Nc2cc(CC(=O)C3CC3)nc3c2C(=O)N(C)C3)c(N(C)S(C)(=O)=O)c1.Cc1ccc(Nc2cc(CC(=O)C3CC3)nc3c2c(=O)n(C)n3C2CCCCO2)c(N(C)S(C)(=O)=O)c1.Cc1ccc(Nc2cc(Cl)nc3c2c(=O)n(C)n3C2CCCCO2)c(N(C)S(C)(=O)=O)c1.Cc1ccc([N+](=O)[O-])c(F)c1.Cc1ccc([N+](=O)[O-])c(N(C)S(C)(=O)=O)c1.Cn1c(=O)c2c(Cl)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.

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

The InChIKey is GMSOXFCHFWSFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5S.C22H26N4O4S.C21H26ClN5O4S.C12H13Cl2N3O2.C9H12N2O4S.C9H14N2O2S.C7H6FNO2.C4H7NO/c1-16-8-11-19(21(13-16)30(3)37(4,34)35)28-20-14-18(15-22(32)17-9-10-17)27-25-24(20)26(33)29(2)31(25)23-7-5-6-12-36-23;1-13-5-8-16(19(9-13)26(3)31(4,29)30)24-17-10-15(11-20(27)14-6-7-14)23-18-12-25(2)22(28)21(17)18;1-13-8-9-14(16(11-13)26(3)32(4,29)30)23-15-12-17(22)24-20-19(15)21(28)25(2)27(20)18-7-5-6-10-31-18;1-16-12(18)10-7(13)6-8(14)15-11(10)17(16)9-4-2-3-5-19-9;1-7-4-5-8(11(12)13)9(6-7)10(2)16(3,14)15;1-7-4-5-8(10)9(6-7)11(2)14(3,12)13;1-5-2-3-7(9(10)11)6(8)4-5;5-4(6)3-1-2-3/h8,11,13-14,17,23H,5-7,9-10,12,15H2,1-4H3,(H,27,28);5,8-10,14H,6-7,11-12H2,1-4H3,(H,23,24);8-9,11-12,18H,5-7,10H2,1-4H3,(H,23,24);6,9H,2-5H2,1H3;4-6H,1-3H3;4-6H,10H2,1-3H3;2-4H,1H3;3H,1-2H2,(H2,5,6).

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

N-(2-amino-5-methylphenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-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-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-4-methyl-1-nitrobenzene;N-methyl-N-(5-methyl-2-nitrophenyl)methanesulfonamide has a molecular weight of 2451.13 g/mol, XLogP of 16.51, 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-methylphenyl)-N-methylmethanesulfonamide;N-[2-[[6-chloro-2-methyl-1-(oxan-2-yl)-3-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-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-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[2-(2-cyclopropyl-2-oxoethyl)-6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;4,6-dichloro-2-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-3-one;2-fluoro-4-methyl-1-nitrobenzene;N-methyl-N-(5-methyl-2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 158303017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).