4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide

C17H16N2O5S — CID 137241592

IUPAC4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/C2=C(O)CC(c3ccco3)CC2=O)cc1
InChIInChI=1S/C17H16N2O5S/c18-25(22,23)13-5-3-12(4-6-13)19-10-14-15(20)8-11(9-16(14)21)17-2-1-7-24-17/h1-7,10-11,20H,8-9H2,(H2,18,22,23)/b19-10+
InChIKeyCDROLXSKNOBOBV-VXLYETTFSA-N
MW360.39 g/mol
LogP2.59
Rot. Bonds4

About 4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide

4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide (PubChem CID 137241592) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide
PubChem CID137241592
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=C/C2=C(O)CC(c3ccco3)CC2=O)cc1
InChIInChI=1S/C17H16N2O5S/c18-25(22,23)13-5-3-12(4-6-13)19-10-14-15(20)8-11(9-16(14)21)17-2-1-7-24-17/h1-7,10-11,20H,8-9H2,(H2,18,22,23)/b19-10+
InChIKeyCDROLXSKNOBOBV-VXLYETTFSA-N
XLogP2.59
TPSA122.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-{[(4-Ethoxyphenyl)amino]methylene}-5-(2-furyl)-1,3-cyclohexanedione
CID 135401498
2-{[(4-Ethylphenyl)amino]methylene}-5-(2-furyl)-1,3-cyclohexanedione
CID 135401662
5-Furan-2-yl-2-(p-tolylamino-methylene)-cyclohexane-1,3-dione
CID 135450678
5-(2-Furanyl)-2-[(2-phenylanilino)methylidene]cyclohexane-1,3-dione
CID 135455186
5-(Furan-2-yl)-3-hydroxy-2-[(2-hydroxyphenyl)iminomethyl]cyclohex-2-en-1-one
CID 145983195
5-(2-Furyl)-2-(phenylaminomethylidene)cyclohexane-1,3-dione
CID 137183935
4-[(5-Phenylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 878685
4-sulfamoyl-N-[4-(2-furyl)benzylidene]aniline
CID 22316731
4-[5-[(4-Sulfamoylphenyl)iminomethyl]furan-2-yl]benzenesulfonamide
CID 1575665
4-[5-[(4-Methoxyphenyl)iminomethyl]furan-2-yl]benzenesulfonamide
CID 24215145
2-{[(3,5-Dimethylphenyl)amino]methylidene}-5-(furan-2-yl)cyclohexane-1,3-dione
CID 135403755
N-(furan-2-ylmethyl)-4-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methylideneamino]benzenesulfonamide
CID 135600642

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide (CID 137241592) is 4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide is NS(=O)(=O)c1ccc(/N=C/C2=C(O)CC(c3ccco3)CC2=O)cc1.
What is the InChIKey of 4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide?
The InChIKey is CDROLXSKNOBOBV-VXLYETTFSA-N. The full InChI is InChI=1S/C17H16N2O5S/c18-25(22,23)13-5-3-12(4-6-13)19-10-14-15(20)8-11(9-16(14)21)17-2-1-7-24-17/h1-7,10-11,20H,8-9H2,(H2,18,22,23)/b19-10+.
What are the key properties of 4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide?
4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide has a molecular weight of 360.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(furan-2-yl)-2-hydroxy-6-oxocyclohexen-1-yl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 137241592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).