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

C22H26N4O3S — CID 41210948

IUPACN,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C(/C)c2ccc3cc(OC)ccc3c2)nc1
InChIInChI=1S/C22H26N4O3S/c1-5-26(6-2)30(27,28)21-11-12-22(23-15-21)25-24-16(3)17-7-8-19-14-20(29-4)10-9-18(19)13-17/h7-15H,5-6H2,1-4H3,(H,23,25)/b24-16-
InChIKeyTWELYTRWTBCAND-JLPGSUDCSA-N
MW426.54 g/mol
LogP4.11
Rot. Bonds8

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

N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide (PubChem CID 41210948) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
PubChem CID41210948
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C(/C)c2ccc3cc(OC)ccc3c2)nc1
InChIInChI=1S/C22H26N4O3S/c1-5-26(6-2)30(27,28)21-11-12-22(23-15-21)25-24-16(3)17-7-8-19-14-20(29-4)10-9-18(19)13-17/h7-15H,5-6H2,1-4H3,(H,23,25)/b24-16-
InChIKeyTWELYTRWTBCAND-JLPGSUDCSA-N
XLogP4.11
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide
CID 6217588
N,N-diethyl-6-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]pyridine-3-sulfonamide
CID 41237004
N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 42996125
N,N-diethyl-6-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 6255801
6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
CID 18207434
ethyl 4-[[5-(diethylsulfamoyl)-2-pyridinyl]hydrazinylidene]piperidine-1-carboxylate
CID 8900489
6-[(2E)-2-[4-(1,3-benzodioxol-5-yl)butan-2-ylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 16556231
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073564
4-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]benzoate
CID 7295893
4-bromo-N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzenesulfonamide
CID 3925592
4-[2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 5037866
N,N-diethyl-6-[2-[(4-octoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 5026433

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide (CID 41210948) is N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N/N=C(/C)c2ccc3cc(OC)ccc3c2)nc1.
What is the InChIKey of N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide?
The InChIKey is TWELYTRWTBCAND-JLPGSUDCSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-5-26(6-2)30(27,28)21-11-12-22(23-15-21)25-24-16(3)17-7-8-19-14-20(29-4)10-9-18(19)13-17/h7-15H,5-6H2,1-4H3,(H,23,25)/b24-16-.
What are the key properties of N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide?
N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide has a molecular weight of 426.54 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[(2Z)-2-[1-(6-methoxynaphthalen-2-yl)ethylidene]hydrazinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 41210948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).