N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide

C14H18N4O3S — CID 16556218

IUPACN,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccco2)nc1
InChIInChI=1S/C14H18N4O3S/c1-3-18(4-2)22(19,20)13-7-8-14(15-11-13)17-16-10-12-6-5-9-21-12/h5-11H,3-4H2,1-2H3,(H,15,17)/b16-10+
InChIKeyPDYOZOCIBLPVRY-MHWRWJLKSA-N
MW322.39 g/mol
LogP2.15
Rot. Bonds7

About N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide

N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide (PubChem CID 16556218) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide
PubChem CID16556218
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccco2)nc1
InChIInChI=1S/C14H18N4O3S/c1-3-18(4-2)22(19,20)13-7-8-14(15-11-13)17-16-10-12-6-5-9-21-12/h5-11H,3-4H2,1-2H3,(H,15,17)/b16-10+
InChIKeyPDYOZOCIBLPVRY-MHWRWJLKSA-N
XLogP2.15
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.15
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-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide (CID 16556218) is N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccco2)nc1.
What is the InChIKey of N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide?
The InChIKey is PDYOZOCIBLPVRY-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-3-18(4-2)22(19,20)13-7-8-14(15-11-13)17-16-10-12-6-5-9-21-12/h5-11H,3-4H2,1-2H3,(H,15,17)/b16-10+.
What are the key properties of N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide?
N,N-diethyl-6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide has a molecular weight of 322.39 g/mol, XLogP of 2.15, 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-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 16556218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).