4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide

C17H14N2O3S — CID 22316731

IUPAC4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccco3)cc2)cc1
InChIInChI=1S/C17H14N2O3S/c18-23(20,21)16-9-7-15(8-10-16)19-12-13-3-5-14(6-4-13)17-2-1-11-22-17/h1-12H,(H2,18,20,21)/b19-12+
InChIKeyLGOABFNNAAVHPF-XDHOZWIPSA-N
MW326.38 g/mol
LogP3.34
Rot. Bonds4

About 4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide

4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide (PubChem CID 22316731) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide
PubChem CID22316731
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccco3)cc2)cc1
InChIInChI=1S/C17H14N2O3S/c18-23(20,21)16-9-7-15(8-10-16)19-12-13-3-5-14(6-4-13)17-2-1-11-22-17/h1-12H,(H2,18,20,21)/b19-12+
InChIKeyLGOABFNNAAVHPF-XDHOZWIPSA-N
XLogP3.34
TPSA85.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide (CID 22316731) is 4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/c2ccc(-c3ccco3)cc2)cc1.
What is the InChIKey of 4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is LGOABFNNAAVHPF-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H14N2O3S/c18-23(20,21)16-9-7-15(8-10-16)19-12-13-3-5-14(6-4-13)17-2-1-11-22-17/h1-12H,(H2,18,20,21)/b19-12+.
What are the key properties of 4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide?
4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 326.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(furan-2-yl)phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 22316731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).