2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide

C22H18Cl2FN3O3S — CID 126123253

IUPAC2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
SMILESO=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C\c1cccc(F)c1
InChIInChI=1S/C22H18Cl2FN3O3S/c23-20-10-9-17(12-21(20)24)14-28(32(30,31)19-7-2-1-3-8-19)15-22(29)27-26-13-16-5-4-6-18(25)11-16/h1-13H,14-15H2,(H,27,29)/b26-13-
InChIKeyMQHGPLHALVDBAS-ZMFRSBBQSA-N
MW494.38 g/mol
LogP4.47
Rot. Bonds8

About 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide

2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide (PubChem CID 126123253) has the molecular formula C22H18Cl2FN3O3S and a molecular weight of 494.38 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
PubChem CID126123253
Molecular FormulaC22H18Cl2FN3O3S
Molecular Weight494.38 g/mol
Exact Mass493.04
IUPAC Name2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
SMILESO=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C\c1cccc(F)c1
InChIInChI=1S/C22H18Cl2FN3O3S/c23-20-10-9-17(12-21(20)24)14-28(32(30,31)19-7-2-1-3-8-19)15-22(29)27-26-13-16-5-4-6-18(25)11-16/h1-13H,14-15H2,(H,27,29)/b26-13-
InChIKeyMQHGPLHALVDBAS-ZMFRSBBQSA-N
XLogP4.47
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.38
LogP ≤ 54.47
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-[(E)-(3-bromophenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]acetamide
CID 126372406
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135644179
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 126374807
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide
CID 126123534
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 98105346
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 126010033
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6185062
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135588732
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3-methylphenyl)methylideneamino]acetamide
CID 4530231
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126128492
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 126373385
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 126118824

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide (CID 126123253) is 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide is O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C\c1cccc(F)c1.
What is the InChIKey of 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide?
The InChIKey is MQHGPLHALVDBAS-ZMFRSBBQSA-N. The full InChI is InChI=1S/C22H18Cl2FN3O3S/c23-20-10-9-17(12-21(20)24)14-28(32(30,31)19-7-2-1-3-8-19)15-22(29)27-26-13-16-5-4-6-18(25)11-16/h1-13H,14-15H2,(H,27,29)/b26-13-.
What are the key properties of 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide?
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide has a molecular weight of 494.38 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 126123253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).