N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide

C50H56N6O6S2 — CID 10629560

IUPACN-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C/C=N/N(c2ccccc2)c2ccccc2)CCCC(O)C(O)CCCN(C/C=N/N(c2ccccc2)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C50H56N6O6S2/c1-41-27-31-47(32-28-41)63(59,60)53(39-35-51-55(43-17-7-3-8-18-43)44-19-9-4-10-20-44)37-15-25-49(57)50(58)26-16-38-54(64(61,62)48-33-29-42(2)30-34-48)40-36-52-56(45-21-11-5-12-22-45)46-23-13-6-14-24-46/h3-14,17-24,27-36,49-50,57-58H,15-16,25-26,37-40H2,1-2H3/b51-35+,52-36+
InChIKeyZPAYGCMSPHFUAJ-RSVFUAOESA-N
MW901.17 g/mol
LogP8.92
Rot. Bonds23

About N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide

N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide (PubChem CID 10629560) has the molecular formula C50H56N6O6S2 and a molecular weight of 901.17 g/mol. Its IUPAC name is N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide
PubChem CID10629560
Molecular FormulaC50H56N6O6S2
Molecular Weight901.17 g/mol
Exact Mass900.37
IUPAC NameN-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C/C=N/N(c2ccccc2)c2ccccc2)CCCC(O)C(O)CCCN(C/C=N/N(c2ccccc2)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C50H56N6O6S2/c1-41-27-31-47(32-28-41)63(59,60)53(39-35-51-55(43-17-7-3-8-18-43)44-19-9-4-10-20-44)37-15-25-49(57)50(58)26-16-38-54(64(61,62)48-33-29-42(2)30-34-48)40-36-52-56(45-21-11-5-12-22-45)46-23-13-6-14-24-46/h3-14,17-24,27-36,49-50,57-58H,15-16,25-26,37-40H2,1-2H3/b51-35+,52-36+
InChIKeyZPAYGCMSPHFUAJ-RSVFUAOESA-N
XLogP8.92
TPSA146.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.17
LogP ≤ 58.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 11608901
N-[(2R,3S)-2-hydroxy-3-phenylpent-4-enyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 25016895
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
2-[3-[carboxymethyl-(4-methylphenyl)sulfonylamino]propyl-(4-methylphenyl)sulfonylamino]acetic acid
CID 71676651
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
N,N-bis(3-chloropropyl)-4-methylbenzenesulfonamide
CID 11012755
N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 14386909
N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3410388
N-[(E)-4-bromobut-2-enyl]-4-methyl-N-(3-oxo-3-phenylpropyl)benzenesulfonamide
CID 71527527
4-methyl-N,N-diphenacylbenzenesulfonamide
CID 13015122
N-(3-hydroxypropyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 146526103
N-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 146522187

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide (CID 10629560) is N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C/C=N/N(c2ccccc2)c2ccccc2)CCCC(O)C(O)CCCN(C/C=N/N(c2ccccc2)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide?
The InChIKey is ZPAYGCMSPHFUAJ-RSVFUAOESA-N. The full InChI is InChI=1S/C50H56N6O6S2/c1-41-27-31-47(32-28-41)63(59,60)53(39-35-51-55(43-17-7-3-8-18-43)44-19-9-4-10-20-44)37-15-25-49(57)50(58)26-16-38-54(64(61,62)48-33-29-42(2)30-34-48)40-36-52-56(45-21-11-5-12-22-45)46-23-13-6-14-24-46/h3-14,17-24,27-36,49-50,57-58H,15-16,25-26,37-40H2,1-2H3/b51-35+,52-36+.
What are the key properties of N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide?
N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide has a molecular weight of 901.17 g/mol, XLogP of 8.92, 23 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-(diphenylhydrazinylidene)ethyl]-N-[8-[[(2E)-2-(diphenylhydrazinylidene)ethyl]-(4-methylphenyl)sulfonylamino]-4,5-dihydroxyoctyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10629560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).