N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide

C19H26N4O5S — CID 42996125

IUPACN,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C/c2cc(OC)c(OC)c(OC)c2)nc1
InChIInChI=1S/C19H26N4O5S/c1-6-23(7-2)29(24,25)15-8-9-18(20-13-15)22-21-12-14-10-16(26-3)19(28-5)17(11-14)27-4/h8-13H,6-7H2,1-5H3,(H,20,22)/b21-12+
InChIKeyLEVCZJVSEZBXFP-CIAFOILYSA-N
MW422.51 g/mol
LogP2.58
Rot. Bonds10

About N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide

N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide (PubChem CID 42996125) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
PubChem CID42996125
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC NameN,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C/c2cc(OC)c(OC)c(OC)c2)nc1
InChIInChI=1S/C19H26N4O5S/c1-6-23(7-2)29(24,25)15-8-9-18(20-13-15)22-21-12-14-10-16(26-3)19(28-5)17(11-14)27-4/h8-13H,6-7H2,1-5H3,(H,20,22)/b21-12+
InChIKeyLEVCZJVSEZBXFP-CIAFOILYSA-N
XLogP2.58
TPSA102.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide (CID 42996125) is N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2cc(OC)c(OC)c(OC)c2)nc1.
What is the InChIKey of N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide?
The InChIKey is LEVCZJVSEZBXFP-CIAFOILYSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-6-23(7-2)29(24,25)15-8-9-18(20-13-15)22-21-12-14-10-16(26-3)19(28-5)17(11-14)27-4/h8-13H,6-7H2,1-5H3,(H,20,22)/b21-12+.
What are the key properties of N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide?
N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide has a molecular weight of 422.51 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 42996125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).