N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide

C105H107FN24O15S5 — CID 158659471

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1.CCn1c(CNc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)nc2ccccc21.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)n1.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCc3nc4ccccc4n3C)cc2)n1
InChIInChI=1S/C22H24N6O2S.C21H19FN4O3S.C21H22N6O2S.C21H22N4O4S.C20H20N4O4S/c1-4-28-20-8-6-5-7-19(20)26-21(28)14-23-17-9-11-18(12-10-17)31(29,30)27-22-24-15(2)13-16(3)25-22;1-14-13-15(2)24-21(23-14)26-30(28,29)19-10-8-18(9-11-19)25-20(27)12-5-16-3-6-17(22)7-4-16;1-14-12-15(2)24-21(23-14)26-30(28,29)17-10-8-16(9-11-17)22-13-20-25-18-6-4-5-7-19(18)27(20)3;1-4-29-18-9-5-16(6-10-18)20(26)24-17-7-11-19(12-8-17)30(27,28)25-21-22-14(2)13-15(3)23-21;1-14-12-15(2)22-20(21-14)24-29(26,27)18-10-8-16(9-11-18)23-19(25)13-28-17-6-4-3-5-7-17/h5-13,23H,4,14H2,1-3H3,(H,24,25,27);3-13H,1-2H3,(H,25,27)(H,23,24,26);4-12,22H,13H2,1-3H3,(H,23,24,26);5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25);3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)/b;12-5+;;;
InChIKeyICOKSXGOTHWTGW-JXKGVQOYSA-N
MW2124.50 g/mol
LogP17.41
Rot. Bonds33

About N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide

N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide (PubChem CID 158659471) has the molecular formula C105H107FN24O15S5 and a molecular weight of 2124.50 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
PubChem CID158659471
Molecular FormulaC105H107FN24O15S5
Molecular Weight2124.50 g/mol
Exact Mass2122.69
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1.CCn1c(CNc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)nc2ccccc21.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)n1.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCc3nc4ccccc4n3C)cc2)n1
InChIInChI=1S/C22H24N6O2S.C21H19FN4O3S.C21H22N6O2S.C21H22N4O4S.C20H20N4O4S/c1-4-28-20-8-6-5-7-19(20)26-21(28)14-23-17-9-11-18(12-10-17)31(29,30)27-22-24-15(2)13-16(3)25-22;1-14-13-15(2)24-21(23-14)26-30(28,29)19-10-8-18(9-11-19)25-20(27)12-5-16-3-6-17(22)7-4-16;1-14-12-15(2)24-21(23-14)26-30(28,29)17-10-8-16(9-11-17)22-13-20-25-18-6-4-5-7-19(18)27(20)3;1-4-29-18-9-5-16(6-10-18)20(26)24-17-7-11-19(12-8-17)30(27,28)25-21-22-14(2)13-15(3)23-21;1-14-12-15(2)22-20(21-14)24-29(26,27)18-10-8-16(9-11-18)23-19(25)13-28-17-6-4-3-5-7-17/h5-13,23H,4,14H2,1-3H3,(H,24,25,27);3-13H,1-2H3,(H,25,27)(H,23,24,26);4-12,22H,13H2,1-3H3,(H,23,24,26);5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25);3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)/b;12-5+;;;
InChIKeyICOKSXGOTHWTGW-JXKGVQOYSA-N
XLogP17.41
TPSA525.21 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002124.50
LogP ≤ 517.41
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide with MolForge

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Related Compounds

2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;2-[3-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]ethanamine;tetrakis(2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole)
CID 160707805
N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide;methane
CID 160885005

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide (CID 158659471) is N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide is CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1.CCn1c(CNc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)nc2ccccc21.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)n1.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1.Cc1cc(C)nc(NS(=O)(=O)c2ccc(NCc3nc4ccccc4n3C)cc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide?
The InChIKey is ICOKSXGOTHWTGW-JXKGVQOYSA-N. The full InChI is InChI=1S/C22H24N6O2S.C21H19FN4O3S.C21H22N6O2S.C21H22N4O4S.C20H20N4O4S/c1-4-28-20-8-6-5-7-19(20)26-21(28)14-23-17-9-11-18(12-10-17)31(29,30)27-22-24-15(2)13-16(3)25-22;1-14-13-15(2)24-21(23-14)26-30(28,29)19-10-8-18(9-11-19)25-20(27)12-5-16-3-6-17(22)7-4-16;1-14-12-15(2)24-21(23-14)26-30(28,29)17-10-8-16(9-11-17)22-13-20-25-18-6-4-5-7-19(18)27(20)3;1-4-29-18-9-5-16(6-10-18)20(26)24-17-7-11-19(12-8-17)30(27,28)25-21-22-14(2)13-15(3)23-21;1-14-12-15(2)22-20(21-14)24-29(26,27)18-10-8-16(9-11-18)23-19(25)13-28-17-6-4-3-5-7-17/h5-13,23H,4,14H2,1-3H3,(H,24,25,27);3-13H,1-2H3,(H,25,27)(H,23,24,26);4-12,22H,13H2,1-3H3,(H,23,24,26);5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25);3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)/b;12-5+;;;.
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide has a molecular weight of 2124.50 g/mol, XLogP of 17.41, 33 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-ethylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-(4,6-dimethylpyrimidin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methylamino]benzenesulfonamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-ethoxybenzamide;(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide;N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 158659471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).