N-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide

C13H10Cl2N2O2S — CID 5406662

IUPACN-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(N/N=C\c1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10Cl2N2O2S/c14-11-6-7-12(15)13(8-11)20(18,19)17-16-9-10-4-2-1-3-5-10/h1-9,17H/b16-9-
InChIKeyGLLORFNEBWDSLB-SXGWCWSVSA-N
MW329.21 g/mol
LogP3.31
Rot. Bonds4

About N-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide

N-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide (PubChem CID 5406662) has the molecular formula C13H10Cl2N2O2S and a molecular weight of 329.21 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide
PubChem CID5406662
Molecular FormulaC13H10Cl2N2O2S
Molecular Weight329.21 g/mol
Exact Mass327.98
IUPAC NameN-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(N/N=C\c1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10Cl2N2O2S/c14-11-6-7-12(15)13(8-11)20(18,19)17-16-9-10-4-2-1-3-5-10/h1-9,17H/b16-9-
InChIKeyGLLORFNEBWDSLB-SXGWCWSVSA-N
XLogP3.31
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2,5-dichlorobenzenesulfonamide
CID 135688406
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 110517051
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517070
2,4,5-trichloro-N-[(3-nitrophenyl)methylideneamino]benzenesulfonamide
CID 1378511
N-[(Z)-benzylideneamino]sulfamoyl iodide
CID 129147769
2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide
CID 23095152
5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110517043
4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide
CID 874024
4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 5414863

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide (CID 5406662) is N-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide is O=S(=O)(N/N=C\c1ccccc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide?
The InChIKey is GLLORFNEBWDSLB-SXGWCWSVSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2S/c14-11-6-7-12(15)13(8-11)20(18,19)17-16-9-10-4-2-1-3-5-10/h1-9,17H/b16-9-.
What are the key properties of N-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide?
N-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide has a molecular weight of 329.21 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 5406662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).