4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide

C14H13N3O4S — CID 5335166

IUPAC4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O4S/c1-11-6-8-13(9-7-11)22(20,21)16-15-10-12-4-2-3-5-14(12)17(18)19/h2-10,16H,1H3/b15-10+
InChIKeyOOOLPNHDHGDYPS-XNTDXEJSSA-N
MW319.34 g/mol
LogP2.22
Rot. Bonds5

About 4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide

4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide (PubChem CID 5335166) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide
PubChem CID5335166
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O4S/c1-11-6-8-13(9-7-11)22(20,21)16-15-10-12-4-2-3-5-14(12)17(18)19/h2-10,16H,1H3/b15-10+
InChIKeyOOOLPNHDHGDYPS-XNTDXEJSSA-N
XLogP2.22
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.22
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 4-methyl-N-[(E)-(2-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

Benzenesulfonamide, 4-methyl-N-(4-nitrophenyl)-
CID 69772
4-(4-Nitro-benzylideneamino)-benzenesulfonamide
CID 564225
4-Methyl-N'-(4-nitrobenzylidene)benzenesulfonohydrazide
CID 5338108
4-Phenyliminomethyl-benzenesulfonamide
CID 44456679
4-methyl-N-[(E)-4-methylpentan-2-ylideneamino]-3-nitrobenzenesulfonamide
CID 9679204
N'-[(E)-(3-Nitrophenyl)methylidene]benzenesulfonohydrazide
CID 6908540
4-Methyl-N-[(3-nitrophenyl)methyl]benzenesulfonamide
CID 309044
4-nitro-N-(4-sulfamoylbenzyl)benzenesulfonamide
CID 2268367
4-methyl-3-nitro-N-[(4-propylcyclohexylidene)amino]benzenesulfonamide
CID 4623128
N'-(4-chloro-3-nitrobenzylidene)-4-methylbenzenesulfonohydrazide
CID 5508031
N'-(2-chloro-5-nitrobenzylidene)-4-methylbenzenesulfonohydrazide
CID 5723853
4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]benzenesulfonamide
CID 6892615

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide (CID 5335166) is 4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide?
The InChIKey is OOOLPNHDHGDYPS-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-11-6-8-13(9-7-11)22(20,21)16-15-10-12-4-2-3-5-14(12)17(18)19/h2-10,16H,1H3/b15-10+.
What are the key properties of 4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide has a molecular weight of 319.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5335166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).