N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide

C100H113Cl3N26O11S4 — CID 157397141

About N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide

N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide (PubChem CID 157397141) has the molecular formula C100H113Cl3N26O11S4 and a molecular weight of 2089.80 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide
• PubChem CID: 157397141
• Molecular Formula: C100H113Cl3N26O11S4
• Molecular Weight: 2089.80 g/mol
• Exact Mass: 2086.70
• IUPAC Name: N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide
• SMILES: CCS(=O)(=O)N(C)c1ccccc1N.CCS(=O)(=O)N(C)c1ccccc1Nc1cc(Cl)nc2c1nc(C)n2C1CCCCO1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccccc3N(C)S(=O)(=O)CC)c3c(n2)CC(C)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccccc3N(C)S(=O)(=O)CC)c3nc(C)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1
• InChI: InChI=1S/C28H31N7O3S.C24H24N6O2S.C21H26ClN5O3S.C12H13Cl2N3O.C9H14N2O2S.C6H5N3/c1-5-39(36,37)34(4)24-13-7-6-12-22(24)33-23-18-21(17-20-11-10-14-25(29-3)31-20)32-28-27(23)30-19(2)35(28)26-15-8-9-16-38-26;1-5-33(31,32)30(4)22-11-7-6-10-19(22)29-21-15-18(27-20-13-16(2)26-24(20)21)14-17-9-8-12-23(25-3)28-17;1-4-31(28,29)26(3)17-10-6-5-9-15(17)24-16-13-18(22)25-21-20(16)23-14(2)27(21)19-11-7-8-12-30-19;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-3-14(12,13)11(2)9-7-5-4-6-8(9)10;1-8-6-4-2-3-5(7)9-6/h6-7,10-14,18,26H,5,8-9,15-17H2,1-2,4H3,(H,32,33);6-12,15H,5,13-14H2,1-2,4H3,(H,27,29);5-6,9-10,13,19H,4,7-8,11-12H2,1-3H3,(H,24,25);6,10H,2-5H2,1H3;4-7H,3,10H2,1-2H3;2-4H,(H2,7,9)
• InChIKey: BMRXKDRQQOYNRL-UHFFFAOYSA-N
• XLogP: 20.94
• TPSA: 434.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2089.80
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide?

The IUPAC name of N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide (CID 157397141) is N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide.

What is the SMILES notation for N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide?

The canonical SMILES for N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)c1ccccc1N.CCS(=O)(=O)N(C)c1ccccc1Nc1cc(Cl)nc2c1nc(C)n2C1CCCCO1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccccc3N(C)S(=O)(=O)CC)c3c(n2)CC(C)=N3)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccccc3N(C)S(=O)(=O)CC)c3nc(C)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(N)n1.

What is the InChIKey of N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide?

The InChIKey is BMRXKDRQQOYNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O3S.C24H24N6O2S.C21H26ClN5O3S.C12H13Cl2N3O.C9H14N2O2S.C6H5N3/c1-5-39(36,37)34(4)24-13-7-6-12-22(24)33-23-18-21(17-20-11-10-14-25(29-3)31-20)32-28-27(23)30-19(2)35(28)26-15-8-9-16-38-26;1-5-33(31,32)30(4)22-11-7-6-10-19(22)29-21-15-18(27-20-13-16(2)26-24(20)21)14-17-9-8-12-23(25-3)28-17;1-4-31(28,29)26(3)17-10-6-5-9-15(17)24-16-13-18(22)25-21-20(16)23-14(2)27(21)19-11-7-8-12-30-19;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-3-14(12,13)11(2)9-7-5-4-6-8(9)10;1-8-6-4-2-3-5(7)9-6/h6-7,10-14,18,26H,5,8-9,15-17H2,1-2,4H3,(H,32,33);6-12,15H,5,13-14H2,1-2,4H3,(H,27,29);5-6,9-10,13,19H,4,7-8,11-12H2,1-3H3,(H,24,25);6,10H,2-5H2,1H3;4-7H,3,10H2,1-2H3;2-4H,(H2,7,9).

What are the key properties of N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide?

N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide has a molecular weight of 2089.80 g/mol, XLogP of 20.94, 25 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-N-methylethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;6-isocyanopyridin-2-amine;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide;N-[2-[[5-[(6-isocyano-2-pyridinyl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide is sourced from PubChem (CID 157397141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).