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

C22H17Cl3FN3O3S — CID 126071673

IUPAC2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1ccc(F)cc1
InChIInChI=1S/C22H17Cl3FN3O3S/c23-17-5-9-20(10-6-17)33(31,32)29(13-16-3-4-18(24)11-21(16)25)14-22(30)28-27-12-15-1-7-19(26)8-2-15/h1-12H,13-14H2,(H,28,30)/b27-12-
InChIKeyFPUMEFDCMGJJGM-PPDIBHTLSA-N
MW528.82 g/mol
LogP5.13
Rot. Bonds8

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

2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide (PubChem CID 126071673) has the molecular formula C22H17Cl3FN3O3S and a molecular weight of 528.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
PubChem CID126071673
Molecular FormulaC22H17Cl3FN3O3S
Molecular Weight528.82 g/mol
Exact Mass527.00
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1ccc(F)cc1
InChIInChI=1S/C22H17Cl3FN3O3S/c23-17-5-9-20(10-6-17)33(31,32)29(13-16-3-4-18(24)11-21(16)25)14-22(30)28-27-12-15-1-7-19(26)8-2-15/h1-12H,13-14H2,(H,28,30)/b27-12-
InChIKeyFPUMEFDCMGJJGM-PPDIBHTLSA-N
XLogP5.13
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.82
LogP ≤ 55.13
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)-(4-chlorophenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126078310
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126077461
N-[(Z)-benzylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126067440
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(E)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 126378249
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126057846
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 126066405
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 6041566
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 126065259
4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6139507
2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 126374807
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 137168117
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126064432

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide (CID 126071673) is 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N/N=C\c1ccc(F)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide?
The InChIKey is FPUMEFDCMGJJGM-PPDIBHTLSA-N. The full InChI is InChI=1S/C22H17Cl3FN3O3S/c23-17-5-9-20(10-6-17)33(31,32)29(13-16-3-4-18(24)11-21(16)25)14-22(30)28-27-12-15-1-7-19(26)8-2-15/h1-12H,13-14H2,(H,28,30)/b27-12-.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide?
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide has a molecular weight of 528.82 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 126071673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).