4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide

C11H8ClN3O5S — CID 6894037

IUPAC4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H8ClN3O5S/c12-8-1-4-10(5-2-8)21(18,19)14-13-7-9-3-6-11(20-9)15(16)17/h1-7,14H/b13-7+
InChIKeyOCTXGVIUUIMAHQ-NTUHNPAUSA-N
MW329.72 g/mol
LogP2.15
Rot. Bonds5

About 4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide

4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 6894037) has the molecular formula C11H8ClN3O5S and a molecular weight of 329.72 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
PubChem CID6894037
Molecular FormulaC11H8ClN3O5S
Molecular Weight329.72 g/mol
Exact Mass328.99
IUPAC Name4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H8ClN3O5S/c12-8-1-4-10(5-2-8)21(18,19)14-13-7-9-3-6-11(20-9)15(16)17/h1-7,14H/b13-7+
InChIKeyOCTXGVIUUIMAHQ-NTUHNPAUSA-N
XLogP2.15
TPSA114.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.72
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3816843
N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide
CID 842355
4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide
CID 5343673
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide
CID 6287373
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3426936
2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 825585
4-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 136661321
4-chloro-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzenesulfonamide
CID 1349898
4-chloro-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzenesulfonamide
CID 6894032
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306
4-chloro-N-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 5186427
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide (CID 6894037) is 4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide is O=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)o1.
What is the InChIKey of 4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is OCTXGVIUUIMAHQ-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H8ClN3O5S/c12-8-1-4-10(5-2-8)21(18,19)14-13-7-9-3-6-11(20-9)15(16)17/h1-7,14H/b13-7+.
What are the key properties of 4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide?
4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 329.72 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6894037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).