N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide

C17H19Cl3N4O2S — CID 41237004

IUPACN,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C(/C)c2ccc(Cl)c(Cl)c2Cl)nc1
InChIInChI=1S/C17H19Cl3N4O2S/c1-4-24(5-2)27(25,26)12-6-9-15(21-10-12)23-22-11(3)13-7-8-14(18)17(20)16(13)19/h6-10H,4-5H2,1-3H3,(H,21,23)/b22-11-
InChIKeyFGTGXSIDKXONLN-JJFYIABZSA-N
MW449.79 g/mol
LogP4.91
Rot. Bonds7

About N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide

N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide (PubChem CID 41237004) has the molecular formula C17H19Cl3N4O2S and a molecular weight of 449.79 g/mol. Its IUPAC name is N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
PubChem CID41237004
Molecular FormulaC17H19Cl3N4O2S
Molecular Weight449.79 g/mol
Exact Mass448.03
IUPAC NameN,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C(/C)c2ccc(Cl)c(Cl)c2Cl)nc1
InChIInChI=1S/C17H19Cl3N4O2S/c1-4-24(5-2)27(25,26)12-6-9-15(21-10-12)23-22-11(3)13-7-8-14(18)17(20)16(13)19/h6-10H,4-5H2,1-3H3,(H,21,23)/b22-11-
InChIKeyFGTGXSIDKXONLN-JJFYIABZSA-N
XLogP4.91
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.79
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]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-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 6217588
6-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 4849551
N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
CID 41210948
6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
CID 18207434
6-[(2E)-2-[4-(1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 16556231
N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 16556218
ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate
CID 8900489
N,N-diethyl-6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 4849554
6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 42996124
6-anilino-N,N-diethylpyridine-3-sulfonamide
CID 829839
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide (CID 41237004) is N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N/N=C(/C)c2ccc(Cl)c(Cl)c2Cl)nc1.
What is the InChIKey of N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide?
The InChIKey is FGTGXSIDKXONLN-JJFYIABZSA-N. The full InChI is InChI=1S/C17H19Cl3N4O2S/c1-4-24(5-2)27(25,26)12-6-9-15(21-10-12)23-22-11(3)13-7-8-14(18)17(20)16(13)19/h6-10H,4-5H2,1-3H3,(H,21,23)/b22-11-.
What are the key properties of N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide?
N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide has a molecular weight of 449.79 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 41237004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).