(NZ)-N-benzylidene-4-nitrobenzenesulfonamide

C13H10N2O4S — CID 6045437

IUPAC(NZ)-N-benzylidene-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)/N=C\c2ccccc2)cc1
InChIInChI=1S/C13H10N2O4S/c16-15(17)12-6-8-13(9-7-12)20(18,19)14-10-11-4-2-1-3-5-11/h1-10H/b14-10-
InChIKeyONIWOLSJVJURJE-UVTDQMKNSA-N
MW290.30 g/mol
LogP2.40
Rot. Bonds4

About (NZ)-N-benzylidene-4-nitrobenzenesulfonamide

(NZ)-N-benzylidene-4-nitrobenzenesulfonamide (PubChem CID 6045437) has the molecular formula C13H10N2O4S and a molecular weight of 290.30 g/mol. Its IUPAC name is (NZ)-N-benzylidene-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-benzylidene-4-nitrobenzenesulfonamide
PubChem CID6045437
Molecular FormulaC13H10N2O4S
Molecular Weight290.30 g/mol
Exact Mass290.04
IUPAC Name(NZ)-N-benzylidene-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)/N=C\c2ccccc2)cc1
InChIInChI=1S/C13H10N2O4S/c16-15(17)12-6-8-13(9-7-12)20(18,19)14-10-11-4-2-1-3-5-11/h1-10H/b14-10-
InChIKeyONIWOLSJVJURJE-UVTDQMKNSA-N
XLogP2.40
TPSA89.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (NZ)-N-benzylidene-4-nitrobenzenesulfonamide 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

N-[(3-nitrophenyl)methylidene]benzenesulfonamide
CID 85437032
N-[(4-chlorophenyl)methylidene]-4-nitrobenzenesulfonamide
CID 73088667
N-[(2-nitrophenyl)methylidene]benzenesulfonamide
CID 27877970
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
CID 19067517
(NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide
CID 23240617
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
formyl chloride;nitrobenzene;hydrate
CID 158709717
(NZ)-N-[(3-chlorophenyl)methylidene]benzenesulfonamide
CID 110518847
N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 2760734
N-[dimethylamino-(4-nitrophenyl)-lambda4-sulfanylidene]benzenesulfonamide
CID 5162998
N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
CID 95564004

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-benzylidene-4-nitrobenzenesulfonamide?
The IUPAC name of (NZ)-N-benzylidene-4-nitrobenzenesulfonamide (CID 6045437) is (NZ)-N-benzylidene-4-nitrobenzenesulfonamide.
What is the SMILES notation for (NZ)-N-benzylidene-4-nitrobenzenesulfonamide?
The canonical SMILES for (NZ)-N-benzylidene-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)/N=C\c2ccccc2)cc1.
What is the InChIKey of (NZ)-N-benzylidene-4-nitrobenzenesulfonamide?
The InChIKey is ONIWOLSJVJURJE-UVTDQMKNSA-N. The full InChI is InChI=1S/C13H10N2O4S/c16-15(17)12-6-8-13(9-7-12)20(18,19)14-10-11-4-2-1-3-5-11/h1-10H/b14-10-.
What are the key properties of (NZ)-N-benzylidene-4-nitrobenzenesulfonamide?
(NZ)-N-benzylidene-4-nitrobenzenesulfonamide has a molecular weight of 290.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-benzylidene-4-nitrobenzenesulfonamide is sourced from PubChem (CID 6045437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).