4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide

C13H9Cl2FN2O2S — CID 5411764

IUPAC4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1c(F)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2FN2O2S/c14-9-4-6-10(7-5-9)21(19,20)18-17-8-11-12(15)2-1-3-13(11)16/h1-8,18H/b17-8-
InChIKeyFEZZNCVKHNHFSU-IUXPMGMMSA-N
MW347.20 g/mol
LogP3.44
Rot. Bonds4

About 4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide

4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide (PubChem CID 5411764) has the molecular formula C13H9Cl2FN2O2S and a molecular weight of 347.20 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide
PubChem CID5411764
Molecular FormulaC13H9Cl2FN2O2S
Molecular Weight347.20 g/mol
Exact Mass345.97
IUPAC Name4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C\c1c(F)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2FN2O2S/c14-9-4-6-10(7-5-9)21(19,20)18-17-8-11-12(15)2-1-3-13(11)16/h1-8,18H/b17-8-
InChIKeyFEZZNCVKHNHFSU-IUXPMGMMSA-N
XLogP3.44
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 53.44
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide (CID 5411764) is 4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C\c1c(F)cccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide?
The InChIKey is FEZZNCVKHNHFSU-IUXPMGMMSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O2S/c14-9-4-6-10(7-5-9)21(19,20)18-17-8-11-12(15)2-1-3-13(11)16/h1-8,18H/b17-8-.
What are the key properties of 4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide?
4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide has a molecular weight of 347.20 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5411764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).