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

C18H13Cl2N3O2S — CID 28589307

IUPAC4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H13Cl2N3O2S/c19-14-4-3-13(18(20)10-14)11-22-15-5-7-17(8-6-15)26(24,25)23-16-2-1-9-21-12-16/h1-12,23H/b22-11+
InChIKeyQEPGXJSKWDKDPC-SSDVNMTOSA-N
MW406.29 g/mol
LogP4.94
Rot. Bonds5

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

4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 28589307) has the molecular formula C18H13Cl2N3O2S and a molecular weight of 406.29 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
PubChem CID28589307
Molecular FormulaC18H13Cl2N3O2S
Molecular Weight406.29 g/mol
Exact Mass405.01
IUPAC Name4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H13Cl2N3O2S/c19-14-4-3-13(18(20)10-14)11-22-15-5-7-17(8-6-15)26(24,25)23-16-2-1-9-21-12-16/h1-12,23H/b22-11+
InChIKeyQEPGXJSKWDKDPC-SSDVNMTOSA-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-[(2,6-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
CID 28589320
1-(2,4-dichlorophenyl)-N-[4-[4-[(2,4-dichlorophenyl)methylideneamino]phenyl]sulfonylphenyl]methanimine
CID 3091569
4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
CID 28589297
3,5-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 3269893
3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 71991673
4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)benzenesulfonamide
CID 1272124
3-amino-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 29034135
5-(benzenesulfonamido)-2-chloro-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43904807
1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 3629789
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
CID 25041089
2,6-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 890470
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide (CID 28589307) is 4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide is O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is QEPGXJSKWDKDPC-SSDVNMTOSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2S/c19-14-4-3-13(18(20)10-14)11-22-15-5-7-17(8-6-15)26(24,25)23-16-2-1-9-21-12-16/h1-12,23H/b22-11+.
What are the key properties of 4-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide?
4-[(2,4-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-[(2,4-dichlorophenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 28589307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).