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

C16H21N5O2S — CID 6217588

IUPACN,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C(/C)c2ccncc2)nc1
InChIInChI=1S/C16H21N5O2S/c1-4-21(5-2)24(22,23)15-6-7-16(18-12-15)20-19-13(3)14-8-10-17-11-9-14/h6-12H,4-5H2,1-3H3,(H,18,20)/b19-13-
InChIKeyHVNNVTTVHCLYSU-UYRXBGFRSA-N
MW347.44 g/mol
LogP2.34
Rot. Bonds7

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

N,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide (PubChem CID 6217588) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide
PubChem CID6217588
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C(/C)c2ccncc2)nc1
InChIInChI=1S/C16H21N5O2S/c1-4-21(5-2)24(22,23)15-6-7-16(18-12-15)20-19-13(3)14-8-10-17-11-9-14/h6-12H,4-5H2,1-3H3,(H,18,20)/b19-13-
InChIKeyHVNNVTTVHCLYSU-UYRXBGFRSA-N
XLogP2.34
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide (CID 6217588) is N,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N/N=C(/C)c2ccncc2)nc1.
What is the InChIKey of N,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide?
The InChIKey is HVNNVTTVHCLYSU-UYRXBGFRSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-4-21(5-2)24(22,23)15-6-7-16(18-12-15)20-19-13(3)14-8-10-17-11-9-14/h6-12H,4-5H2,1-3H3,(H,18,20)/b19-13-.
What are the key properties of N,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide?
N,N-diethyl-6-[(2Z)-2-(1-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.34, 7 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-pyridin-4-ylethylidene)hydrazinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 6217588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).