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;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

C88H111Cl3FN19O20S4 — CID 159773574

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;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;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 159773574) has the molecular formula C88H111Cl3FN19O20S4 and a molecular weight of 2008.59 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;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;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: 159773574
• Molecular Formula: C88H111Cl3FN19O20S4
• Molecular Weight: 2008.59 g/mol
• Exact Mass: 2005.62
• 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;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)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.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;1-13-8-9-14(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);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: NGKZCJNBHUTQCB-UHFFFAOYSA-N
• XLogP: 13.88
• TPSA: 493.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 21
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.59
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

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;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;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 159773574) 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;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;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;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)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;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 NGKZCJNBHUTQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5S.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;1-13-8-9-14(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);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;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;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 2008.59 g/mol, XLogP of 13.88, 21 rotatable bonds, 4 hydrogen bond donors, and 32 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;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 159773574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).