N-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide

C13H11N3O4S — CID 6908540

IUPACN-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(/C=N/NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H11N3O4S/c17-16(18)12-6-4-5-11(9-12)10-14-15-21(19,20)13-7-2-1-3-8-13/h1-10,15H/b14-10+
InChIKeySKRKKLVWIJOXCD-GXDHUFHOSA-N
MW305.31 g/mol
LogP1.91
Rot. Bonds5

About N-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide

N-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide (PubChem CID 6908540) has the molecular formula C13H11N3O4S and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide
PubChem CID6908540
Molecular FormulaC13H11N3O4S
Molecular Weight305.31 g/mol
Exact Mass305.05
IUPAC NameN-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(/C=N/NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H11N3O4S/c17-16(18)12-6-4-5-11(9-12)10-14-15-21(19,20)13-7-2-1-3-8-13/h1-10,15H/b14-10+
InChIKeySKRKKLVWIJOXCD-GXDHUFHOSA-N
XLogP1.91
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[(E)-(3-nitrophenyl)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-(Benzylideneamino)benzenesulfonamide
CID 308405
N-(4-methylbenzyl)-4-nitrobenzenesulfonamide
CID 743480
Mls002693555
CID 248757
4-(4-Nitro-benzylideneamino)-benzenesulfonamide
CID 564225
2-Nitrobenzaldehyde tosylhydrazone
CID 5335166
4-Methyl-N'-(4-nitrobenzylidene)benzenesulfonohydrazide
CID 5338108
4-Phenyliminomethyl-benzenesulfonamide
CID 44456679
4-nitro-N-(3-phenylpropyl)benzenesulfonamide
CID 1756834
4-[2-[(4-Nitrophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 247787
4-Methyl-N-[(3-nitrophenyl)methyl]benzenesulfonamide
CID 309044
4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide
CID 2268367
N'-(4-chloro-3-nitrobenzylidene)-4-methylbenzenesulfonohydrazide
CID 5508031

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide (CID 6908540) is N-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide is O=[N+]([O-])c1cccc(/C=N/NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide?
The InChIKey is SKRKKLVWIJOXCD-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H11N3O4S/c17-16(18)12-6-4-5-11(9-12)10-14-15-21(19,20)13-7-2-1-3-8-13/h1-10,15H/b14-10+.
What are the key properties of N-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide?
N-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide has a molecular weight of 305.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-nitrophenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6908540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).