4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide

C16H19N3O3S — CID 9217266

IUPAC4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(/C=N\N3CCCCC3)o2)cc1
InChIInChI=1S/C16H19N3O3S/c17-23(20,21)15-7-4-13(5-8-15)16-9-6-14(22-16)12-18-19-10-2-1-3-11-19/h4-9,12H,1-3,10-11H2,(H2,17,20,21)/b18-12-
InChIKeyMETBQFNJKGSWIB-PDGQHHTCSA-N
MW333.41 g/mol
LogP2.41
Rot. Bonds4

About 4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide

4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide (PubChem CID 9217266) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide
PubChem CID9217266
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(/C=N\N3CCCCC3)o2)cc1
InChIInChI=1S/C16H19N3O3S/c17-23(20,21)15-7-4-13(5-8-15)16-9-6-14(22-16)12-18-19-10-2-1-3-11-19/h4-9,12H,1-3,10-11H2,(H2,17,20,21)/b18-12-
InChIKeyMETBQFNJKGSWIB-PDGQHHTCSA-N
XLogP2.41
TPSA88.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
CID 50883679
(Z)-N-(4-methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
CID 5403502
(E)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate
CID 7128748
1-[4-[5-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-yl]phenyl]sulfonylazepane
CID 50875581
methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 50883870
N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 9211886
1-(4-propan-2-ylphenyl)-3-[(E)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiourea
CID 42992296
2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enethioamide
CID 3444453
4-ethoxy-N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]benzamide
CID 9215163
4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide
CID 3765394
3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 19602648
4-[5-[(Z)-[1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzenesulfonamide
CID 6072940

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide (CID 9217266) is 4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(/C=N\N3CCCCC3)o2)cc1.
What is the InChIKey of 4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide?
The InChIKey is METBQFNJKGSWIB-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H19N3O3S/c17-23(20,21)15-7-4-13(5-8-15)16-9-6-14(22-16)12-18-19-10-2-1-3-11-19/h4-9,12H,1-3,10-11H2,(H2,17,20,21)/b18-12-.
What are the key properties of 4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide?
4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-piperidin-1-yliminomethyl]furan-2-yl]benzenesulfonamide is sourced from PubChem (CID 9217266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).