N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide

C24H36N4O3S — CID 5026433

IUPACN,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCCCCCCCCOc1ccc(C=NNc2ccc(S(=O)(=O)N(CC)CC)cn2)cc1
InChIInChI=1S/C24H36N4O3S/c1-4-7-8-9-10-11-18-31-22-14-12-21(13-15-22)19-26-27-24-17-16-23(20-25-24)32(29,30)28(5-2)6-3/h12-17,19-20H,4-11,18H2,1-3H3,(H,25,27)
InChIKeyVDAWLCGEVVUBLQ-UHFFFAOYSA-N
MW460.64 g/mol
LogP5.30
Rot. Bonds15

About N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide

N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide (PubChem CID 5026433) has the molecular formula C24H36N4O3S and a molecular weight of 460.64 g/mol. Its IUPAC name is N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
PubChem CID5026433
Molecular FormulaC24H36N4O3S
Molecular Weight460.64 g/mol
Exact Mass460.25
IUPAC NameN,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCCCCCCCCOc1ccc(C=NNc2ccc(S(=O)(=O)N(CC)CC)cn2)cc1
InChIInChI=1S/C24H36N4O3S/c1-4-7-8-9-10-11-18-31-22-14-12-21(13-15-22)19-26-27-24-17-16-23(20-25-24)32(29,30)28(5-2)6-3/h12-17,19-20H,4-11,18H2,1-3H3,(H,25,27)
InChIKeyVDAWLCGEVVUBLQ-UHFFFAOYSA-N
XLogP5.30
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.64
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide 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,N-diethyl-6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 4849554
N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 42996125
N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 16556218
N,N-diethyl-6-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 6255801
6-(2-cinnamylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
CID 73423868
N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide
CID 18205744
6-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 3299121
[4-[[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 4968126
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
N-[(4-heptoxyphenyl)methylideneamino]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 3146370
(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
CID 41210948

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide (CID 5026433) is N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide is CCCCCCCCOc1ccc(C=NNc2ccc(S(=O)(=O)N(CC)CC)cn2)cc1.
What is the InChIKey of N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide?
The InChIKey is VDAWLCGEVVUBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3S/c1-4-7-8-9-10-11-18-31-22-14-12-21(13-15-22)19-26-27-24-17-16-23(20-25-24)32(29,30)28(5-2)6-3/h12-17,19-20H,4-11,18H2,1-3H3,(H,25,27).
What are the key properties of N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide?
N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide has a molecular weight of 460.64 g/mol, XLogP of 5.30, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 5026433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).