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

C14H13N3O4S — CID 5338108

IUPAC4-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H13N3O4S/c1-11-2-8-14(9-3-11)22(20,21)16-15-10-12-4-6-13(7-5-12)17(18)19/h2-10,16H,1H3/b15-10+
InChIKeyWIZQIGJXWBUJMH-XNTDXEJSSA-N
MW319.34 g/mol
LogP2.22
Rot. Bonds5

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

4-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide (PubChem CID 5338108) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
PubChem CID5338108
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name4-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H13N3O4S/c1-11-2-8-14(9-3-11)22(20,21)16-15-10-12-4-6-13(7-5-12)17(18)19/h2-10,16H,1H3/b15-10+
InChIKeyWIZQIGJXWBUJMH-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'}

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Related Compounds

Benzenesulfonamide, 4-methyl-N-(4-nitrophenyl)-
CID 69772
4-(4-Nitro-benzylideneamino)-benzenesulfonamide
CID 564225
4'-Nitro[1,1'-biphenyl]-4-sulfonamide
CID 59079460
2-Nitrobenzaldehyde tosylhydrazone
CID 5335166
4-[(3-Nitrophenyl)methylideneamino]benzenesulfonamide
CID 21177358
N-(4-Sulfamoylbenzylidene)-4-methylaniline
CID 21862824
4-Phenyliminomethyl-benzenesulfonamide
CID 44456679
N'-[(E)-(3-Nitrophenyl)methylidene]benzenesulfonohydrazide
CID 6908540
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 4-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide (CID 5338108) is 4-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide?
The InChIKey is WIZQIGJXWBUJMH-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-11-2-8-14(9-3-11)22(20,21)16-15-10-12-4-6-13(7-5-12)17(18)19/h2-10,16H,1H3/b15-10+.
What are the key properties of 4-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-(4-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)-(4-nitrophenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5338108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).