2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide

C23H20Cl2FN3O3S — CID 126066405

IUPAC2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2F)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H20Cl2FN3O3S/c1-16-6-10-20(11-7-16)33(31,32)29(14-18-8-9-19(24)12-21(18)25)15-23(30)28-27-13-17-4-2-3-5-22(17)26/h2-13H,14-15H2,1H3,(H,28,30)/b27-13-
InChIKeyUNINGCRBJMOSMD-WKIKZPBSSA-N
MW508.40 g/mol
LogP4.78
Rot. Bonds8

About 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide

2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide (PubChem CID 126066405) has the molecular formula C23H20Cl2FN3O3S and a molecular weight of 508.40 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
PubChem CID126066405
Molecular FormulaC23H20Cl2FN3O3S
Molecular Weight508.40 g/mol
Exact Mass507.06
IUPAC Name2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2F)Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H20Cl2FN3O3S/c1-16-6-10-20(11-7-16)33(31,32)29(14-18-8-9-19(24)12-21(18)25)15-23(30)28-27-13-17-4-2-3-5-22(17)26/h2-13H,14-15H2,1H3,(H,28,30)/b27-13-
InChIKeyUNINGCRBJMOSMD-WKIKZPBSSA-N
XLogP4.78
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bromophenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126126215
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 126075784
N-[(Z)-benzylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126067440
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 126062087
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126078310
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 126065259
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126077461
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126057846
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 6041566
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 126071673
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 126068059
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 126013064

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide (CID 126066405) is 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2F)Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide?
The InChIKey is UNINGCRBJMOSMD-WKIKZPBSSA-N. The full InChI is InChI=1S/C23H20Cl2FN3O3S/c1-16-6-10-20(11-7-16)33(31,32)29(14-18-8-9-19(24)12-21(18)25)15-23(30)28-27-13-17-4-2-3-5-22(17)26/h2-13H,14-15H2,1H3,(H,28,30)/b27-13-.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide?
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide has a molecular weight of 508.40 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 126066405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).