benzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene

C116H110N14O19S4 — CID 159296072

IUPACbenzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene
SMILESCC(c1ccccc1)c1ccccc1.COC(=O)c1cc(N)ccn1.COC(=O)c1cc(NS(=O)(=O)C(c2ccccc2)c2ccccc2)ccn1.NN=C(c1ccccc1)c1ccccc1.O=C(NO)c1cc(NS(=O)(=O)C(c2ccccc2)c2ccccc2)ccn1.O=C(NOC1CCCCO1)c1cc(NS(=O)(=O)C(c2ccccc2)c2ccccc2)ccn1.O=C(O)c1cc(NS(=O)(=O)C(c2ccccc2)c2ccccc2)ccn1
InChIInChI=1S/C24H25N3O5S.C20H18N2O4S.C19H17N3O4S.C19H16N2O4S.C14H14.C13H12N2.C7H8N2O2/c28-24(26-32-22-13-7-8-16-31-22)21-17-20(14-15-25-21)27-33(29,30)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19;1-26-20(23)18-14-17(12-13-21-18)22-27(24,25)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16;23-19(21-24)17-13-16(11-12-20-17)22-27(25,26)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;22-19(23)17-13-16(11-12-20-17)21-26(24,25)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-11-7(10)6-4-5(8)2-3-9-6/h1-6,9-12,14-15,17,22-23H,7-8,13,16H2,(H,25,27)(H,26,28);2-14,19H,1H3,(H,21,22);1-13,18,24H,(H,20,22)(H,21,23);1-13,18H,(H,20,21)(H,22,23);2-12H,1H3;1-10H,14H2;2-4H,1H3,(H2,8,9)
InChIKeyLASUQAAWVHBLIW-UHFFFAOYSA-N
MW2132.50 g/mol
LogP19.93
Rot. Bonds31

About benzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene

benzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene (PubChem CID 159296072) has the molecular formula C116H110N14O19S4 and a molecular weight of 2132.50 g/mol. Its IUPAC name is benzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene.

Molecular Properties

Compound Namebenzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene
PubChem CID159296072
Molecular FormulaC116H110N14O19S4
Molecular Weight2132.50 g/mol
Exact Mass2130.70
IUPAC Namebenzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene
SMILESCC(c1ccccc1)c1ccccc1.COC(=O)c1cc(N)ccn1.COC(=O)c1cc(NS(=O)(=O)C(c2ccccc2)c2ccccc2)ccn1.NN=C(c1ccccc1)c1ccccc1.O=C(NO)c1cc(NS(=O)(=O)C(c2ccccc2)c2ccccc2)ccn1.O=C(NOC1CCCCO1)c1cc(NS(=O)(=O)C(c2ccccc2)c2ccccc2)ccn1.O=C(O)c1cc(NS(=O)(=O)C(c2ccccc2)c2ccccc2)ccn1
InChIInChI=1S/C24H25N3O5S.C20H18N2O4S.C19H17N3O4S.C19H16N2O4S.C14H14.C13H12N2.C7H8N2O2/c28-24(26-32-22-13-7-8-16-31-22)21-17-20(14-15-25-21)27-33(29,30)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19;1-26-20(23)18-14-17(12-13-21-18)22-27(24,25)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16;23-19(21-24)17-13-16(11-12-20-17)22-27(25,26)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;22-19(23)17-13-16(11-12-20-17)21-26(24,25)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-11-7(10)6-4-5(8)2-3-9-6/h1-6,9-12,14-15,17,22-23H,7-8,13,16H2,(H,25,27)(H,26,28);2-14,19H,1H3,(H,21,22);1-13,18,24H,(H,20,22)(H,21,23);1-13,18H,(H,20,21)(H,22,23);2-12H,1H3;1-10H,14H2;2-4H,1H3,(H2,8,9)
InChIKeyLASUQAAWVHBLIW-UHFFFAOYSA-N
XLogP19.93
TPSA500.32 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002132.50
LogP ≤ 519.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene?
The IUPAC name of benzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene (CID 159296072) is benzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene.
What is the SMILES notation for benzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene?
The canonical SMILES for benzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene is CC(c1ccccc1)c1ccccc1.COC(=O)c1cc(N)ccn1.COC(=O)c1cc(NS(=O)(=O)C(c2ccccc2)c2ccccc2)ccn1.NN=C(c1ccccc1)c1ccccc1.O=C(NO)c1cc(NS(=O)(=O)C(c2ccccc2)c2ccccc2)ccn1.O=C(NOC1CCCCO1)c1cc(NS(=O)(=O)C(c2ccccc2)c2ccccc2)ccn1.O=C(O)c1cc(NS(=O)(=O)C(c2ccccc2)c2ccccc2)ccn1.
What is the InChIKey of benzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene?
The InChIKey is LASUQAAWVHBLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S.C20H18N2O4S.C19H17N3O4S.C19H16N2O4S.C14H14.C13H12N2.C7H8N2O2/c28-24(26-32-22-13-7-8-16-31-22)21-17-20(14-15-25-21)27-33(29,30)23(18-9-3-1-4-10-18)19-11-5-2-6-12-19;1-26-20(23)18-14-17(12-13-21-18)22-27(24,25)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16;23-19(21-24)17-13-16(11-12-20-17)22-27(25,26)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;22-19(23)17-13-16(11-12-20-17)21-26(24,25)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-11-7(10)6-4-5(8)2-3-9-6/h1-6,9-12,14-15,17,22-23H,7-8,13,16H2,(H,25,27)(H,26,28);2-14,19H,1H3,(H,21,22);1-13,18,24H,(H,20,22)(H,21,23);1-13,18H,(H,20,21)(H,22,23);2-12H,1H3;1-10H,14H2;2-4H,1H3,(H2,8,9).
What are the key properties of benzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene?
benzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene has a molecular weight of 2132.50 g/mol, XLogP of 19.93, 31 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylidenehydrazine;4-(benzhydrylsulfonylamino)-N-hydroxypyridine-2-carboxamide;4-(benzhydrylsulfonylamino)-N-(oxan-2-yloxy)pyridine-2-carboxamide;4-(benzhydrylsulfonylamino)pyridine-2-carboxylic acid;methyl 4-aminopyridine-2-carboxylate;methyl 4-(benzhydrylsulfonylamino)pyridine-2-carboxylate;1-phenylethylbenzene is sourced from PubChem (CID 159296072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).