4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

C18H13Cl2N3O2S — CID 1249761

IUPAC4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H13Cl2N3O2S/c19-16-4-3-5-17(20)15(16)12-22-13-7-9-14(10-8-13)26(24,25)23-18-6-1-2-11-21-18/h1-12H,(H,21,23)/b22-12+
InChIKeyGABGZWPTTQRKOK-WSDLNYQXSA-N
MW406.29 g/mol
LogP4.94
Rot. Bonds5

About 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 1249761) has the molecular formula C18H13Cl2N3O2S and a molecular weight of 406.29 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID1249761
Molecular FormulaC18H13Cl2N3O2S
Molecular Weight406.29 g/mol
Exact Mass405.01
IUPAC Name4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H13Cl2N3O2S/c19-16-4-3-5-17(20)15(16)12-22-13-7-9-14(10-8-13)26(24,25)23-18-6-1-2-11-21-18/h1-12H,(H,21,23)/b22-12+
InChIKeyGABGZWPTTQRKOK-WSDLNYQXSA-N
XLogP4.94
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (CID 1249761) is 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is GABGZWPTTQRKOK-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2S/c19-16-4-3-5-17(20)15(16)12-22-13-7-9-14(10-8-13)26(24,25)23-18-6-1-2-11-21-18/h1-12H,(H,21,23)/b22-12+.
What are the key properties of 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 406.29 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 1249761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).