N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine

C112H120Cl3F12IN31O18PdS5- — CID 158730726

About N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine

N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine (PubChem CID 158730726) has the molecular formula C112H120Cl3F12IN31O18PdS5- and a molecular weight of 2916.38 g/mol. Its IUPAC name is N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine.

Molecular Properties

• Compound Name: N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine
• PubChem CID: 158730726
• Molecular Formula: C112H120Cl3F12IN31O18PdS5-
• Molecular Weight: 2916.38 g/mol
• Exact Mass: 2912.50
• IUPAC Name: N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine
• SMILES: C.CS(=O)(=O)Nc1ccccc1N.CS(=O)(=O)Nc1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)Nc1ccccc1[N+](=O)[O-].FC(F)I.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Nc1cccc(N)n1.Nc1ccccc1[N+](=O)[O-].[C-]#[N+]c1cccc(Cc2cc(Nc3ccccc3N(C(F)F)S(C)(=O)=O)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccccc3NS(C)(=O)=O)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.[CH3-].[Pd]
• InChI: InChI=1S/C27H25F4N7O3S.C26H25F2N7O3S.C19H20ClF2N5O3S.C12H11Cl2F2N3O.C7H8N2O4S.C7H10N2O2S.C6H6N2O2.C5H7N3.CHF2I.CH4.CH3.Pd/c1-32-21-11-7-8-16(33-21)14-17-15-19(35-18-9-3-4-10-20(18)38(27(30)31)42(2,39)40)23-25(34-17)37(26(36-23)24(28)29)22-12-5-6-13-41-22;1-29-21-11-7-8-16(30-21)14-17-15-20(32-18-9-3-4-10-19(18)34-39(2,36)37)23-25(31-17)35(26(33-23)24(27)28)22-12-5-6-13-38-22;1-31(28,29)26-12-7-3-2-6-11(12)23-13-10-14(20)24-18-16(13)25-19(17(21)22)27(18)15-8-4-5-9-30-15;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-14(12,13)8-6-4-2-3-5-7(6)9(10)11;1-12(10,11)9-7-5-3-2-4-6(7)8;7-5-3-1-2-4-6(5)8(9)10;6-4-2-1-3-5(7)8-4;2-1(3)4;;;/h3-4,7-11,15,22,24,27H,5-6,12-14H2,2H3,(H,34,35);3-4,7-11,15,22,24,34H,5-6,12-14H2,2H3,(H,31,32);2-3,6-7,10,15,17,26H,4-5,8-9H2,1H3,(H,23,24);5,8,10H,1-4H2;2-5,8H,1H3;2-5,9H,8H2,1H3;1-4H,7H2;1-3H,(H4,6,7,8);1H;1H4;1H3;/q;;;;;;;;;;-1
• InChIKey: BNAUXDKBLAILPH-UHFFFAOYSA-N
• XLogP: 27.03
• TPSA: 655.66 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2916.38
LogP ≤ 5	27.03
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine?

The IUPAC name of N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine (CID 158730726) is N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine.

What is the SMILES notation for N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine?

The canonical SMILES for N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine is C.CS(=O)(=O)Nc1ccccc1N.CS(=O)(=O)Nc1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.CS(=O)(=O)Nc1ccccc1[N+](=O)[O-].FC(F)I.FC(F)c1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Nc1cccc(N)n1.Nc1ccccc1[N+](=O)[O-].[C-]#[N+]c1cccc(Cc2cc(Nc3ccccc3N(C(F)F)S(C)(=O)=O)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.[C-]#[N+]c1cccc(Cc2cc(Nc3ccccc3NS(C)(=O)=O)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.[CH3-].[Pd].

What is the InChIKey of N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine?

The InChIKey is BNAUXDKBLAILPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F4N7O3S.C26H25F2N7O3S.C19H20ClF2N5O3S.C12H11Cl2F2N3O.C7H8N2O4S.C7H10N2O2S.C6H6N2O2.C5H7N3.CHF2I.CH4.CH3.Pd/c1-32-21-11-7-8-16(33-21)14-17-15-19(35-18-9-3-4-10-20(18)38(27(30)31)42(2,39)40)23-25(34-17)37(26(36-23)24(28)29)22-12-5-6-13-41-22;1-29-21-11-7-8-16(30-21)14-17-15-20(32-18-9-3-4-10-19(18)34-39(2,36)37)23-25(31-17)35(26(33-23)24(27)28)22-12-5-6-13-38-22;1-31(28,29)26-12-7-3-2-6-11(12)23-13-10-14(20)24-18-16(13)25-19(17(21)22)27(18)15-8-4-5-9-30-15;13-6-5-7(14)17-11-9(6)18-12(10(15)16)19(11)8-3-1-2-4-20-8;1-14(12,13)8-6-4-2-3-5-7(6)9(10)11;1-12(10,11)9-7-5-3-2-4-6(7)8;7-5-3-1-2-4-6(5)8(9)10;6-4-2-1-3-5(7)8-4;2-1(3)4;;;/h3-4,7-11,15,22,24,27H,5-6,12-14H2,2H3,(H,34,35);3-4,7-11,15,22,24,34H,5-6,12-14H2,2H3,(H,31,32);2-3,6-7,10,15,17,26H,4-5,8-9H2,1H3,(H,23,24);5,8,10H,1-4H2;2-5,8H,1H3;2-5,9H,8H2,1H3;1-4H,7H2;1-3H,(H4,6,7,8);1H;1H4;1H3;/q;;;;;;;;;;-1;.

What are the key properties of N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine?

N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine has a molecular weight of 2916.38 g/mol, XLogP of 27.03, 31 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)methanesulfonamide;carbanide;N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;5,7-dichloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine;difluoro(iodo)methane;N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide;methane;2-nitroaniline;N-(2-nitrophenyl)methanesulfonamide;palladium;pyridine-2,6-diamine is sourced from PubChem (CID 158730726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).