4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide

C18H13Cl2N3O2S — CID 28589320

IUPAC4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H13Cl2N3O2S/c19-17-4-1-5-18(20)16(17)12-22-13-6-8-15(9-7-13)26(24,25)23-14-3-2-10-21-11-14/h1-12,23H/b22-12+
InChIKeyWJRWNRYKWBYRIE-WSDLNYQXSA-N
MW406.29 g/mol
LogP4.94
Rot. Bonds5

About 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide

4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 28589320) 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-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
PubChem CID28589320
Molecular FormulaC18H13Cl2N3O2S
Molecular Weight406.29 g/mol
Exact Mass405.01
IUPAC Name4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H13Cl2N3O2S/c19-17-4-1-5-18(20)16(17)12-22-13-6-8-15(9-7-13)26(24,25)23-14-3-2-10-21-11-14/h1-12,23H/b22-12+
InChIKeyWJRWNRYKWBYRIE-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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Related Compounds

4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
CID 28589307
2,6-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 890470
4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
CID 28589297
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 71991673
1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine
CID 169152049
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
5-(benzenesulfonamido)-2-chloro-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43904807
N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055344
6-oxo-N-pyridin-3-yl-1H-pyridine-3-sulfonamide
CID 43629054
4-(3-aminopropyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033132

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide (CID 28589320) is 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide is O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is WJRWNRYKWBYRIE-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2S/c19-17-4-1-5-18(20)16(17)12-22-13-6-8-15(9-7-13)26(24,25)23-14-3-2-10-21-11-14/h1-12,23H/b22-12+.
What are the key properties of 4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide?
4-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-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-3-ylbenzenesulfonamide is sourced from PubChem (CID 28589320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).