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

C11H8ClN3O4S2 — CID 5343673

IUPAC4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H8ClN3O4S2/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+
InChIKeyRWCNRARHAUYOSN-NTUHNPAUSA-N
MW345.79 g/mol
LogP2.62
Rot. Bonds5

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

4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 5343673) has the molecular formula C11H8ClN3O4S2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide
PubChem CID5343673
Molecular FormulaC11H8ClN3O4S2
Molecular Weight345.79 g/mol
Exact Mass344.96
IUPAC Name4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H8ClN3O4S2/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+
InChIKeyRWCNRARHAUYOSN-NTUHNPAUSA-N
XLogP2.62
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.62
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'}

Analyze 4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(thiophen-2-ylmethylideneamino)benzenesulfonamide
CID 874023
4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
CID 6894037
4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-3-nitrobenzenesulfonamide
CID 6216480
4-chloro-N-(thiophen-3-ylmethylideneamino)benzenesulfonamide
CID 4167006
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
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135747210
4-chloro-N-[(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 5186427
4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 135716267
N-[(5-cyanothiophen-2-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 67256774
4-fluoro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 6246125

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide (CID 5343673) is 4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide is O=[N+]([O-])c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is RWCNRARHAUYOSN-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H8ClN3O4S2/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-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide?
4-chloro-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 345.79 g/mol, XLogP of 2.62, 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-nitrothiophen-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5343673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).