4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide

C13H13N3O5S — CID 25237401

IUPAC4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C13H13N3O5S/c1-2-10-3-6-12(7-4-10)22(19,20)15-14-9-11-5-8-13(21-11)16(17)18/h3-9,15H,2H2,1H3/b14-9-
InChIKeyTVFIOQIZQONSJA-ZROIWOOFSA-N
MW323.33 g/mol
LogP2.06
Rot. Bonds6

About 4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide

4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 25237401) has the molecular formula C13H13N3O5S and a molecular weight of 323.33 g/mol. Its IUPAC name is 4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
PubChem CID25237401
Molecular FormulaC13H13N3O5S
Molecular Weight323.33 g/mol
Exact Mass323.06
IUPAC Name4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1
InChIInChI=1S/C13H13N3O5S/c1-2-10-3-6-12(7-4-10)22(19,20)15-14-9-11-5-8-13(21-11)16(17)18/h3-9,15H,2H2,1H3/b14-9-
InChIKeyTVFIOQIZQONSJA-ZROIWOOFSA-N
XLogP2.06
TPSA114.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(diethylsulfamoyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 6901828
N'-[(E)-(5-nitrofuran-2-yl)methylidene]benzohydrazide
CID 5331853
4-chloro-N'-[(5-nitro-2-furyl)methylene]benzenesulfonohydrazide
CID 6894037
2,4-dimethoxy-N'-[(Z)-(5-nitrofuran-2-yl)methylidene]benzenesulfonohydrazide
CID 25237326
N-benzyl-1-(5-nitrofuran-2-yl)methanimine oxide
CID 164627975
3,4-dimethyl-N'-[(Z)-(5-nitrofuran-2-yl)methylidene]benzenesulfonohydrazide
CID 25237325
2,4,6-trimethyl-N'-[(E)-(5-nitrofuran-2-yl)methylidene]benzenesulfonohydrazide
CID 25237328
4-nitro-N'-[(5-methyl-2-furyl)methylene]benzenesulfonohydrazide
CID 6875113
4-methyl-N'-[(5-nitro-2-furyl)methylene]benzenesulfonohydrazide
CID 5364312
4-fluoro-N'-[(Z)-(5-nitrofuran-2-yl)methylidene]benzenesulfonohydrazide
CID 25237323
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-sulfamoylbenzamide
CID 45109608
N'-[(E)-(5-nitrofuran-2-yl)methylidene]-3-phenylpropanehydrazide
CID 9557463

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide (CID 25237401) is 4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide is CCc1ccc(S(=O)(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc1.
What is the InChIKey of 4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is TVFIOQIZQONSJA-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H13N3O5S/c1-2-10-3-6-12(7-4-10)22(19,20)15-14-9-11-5-8-13(21-11)16(17)18/h3-9,15H,2H2,1H3/b14-9-.
What are the key properties of 4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 323.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 25237401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).