2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide

C19H10Cl5FN2O3S — CID 18893127

IUPAC2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H10Cl5FN2O3S/c20-9-1-3-11(12(21)5-9)19(28)26-17-4-2-10(6-16(17)25)31(29,30)27-18-8-14(23)13(22)7-15(18)24/h1-8,27H,(H,26,28)
InChIKeyYYFBNJLXEZQIDQ-UHFFFAOYSA-N
MW542.63 g/mol
LogP7.15
Rot. Bonds5

About 2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide

2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide (PubChem CID 18893127) has the molecular formula C19H10Cl5FN2O3S and a molecular weight of 542.63 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide
PubChem CID18893127
Molecular FormulaC19H10Cl5FN2O3S
Molecular Weight542.63 g/mol
Exact Mass539.88
IUPAC Name2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H10Cl5FN2O3S/c20-9-1-3-11(12(21)5-9)19(28)26-17-4-2-10(6-16(17)25)31(29,30)27-18-8-14(23)13(22)7-15(18)24/h1-8,27H,(H,26,28)
InChIKeyYYFBNJLXEZQIDQ-UHFFFAOYSA-N
XLogP7.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.63
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893102
2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893111
2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893144
N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2,4-dichlorobenzamide
CID 18893156
2,4-dichloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
CID 18893105
2,4-dichloro-N-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenyl]benzamide
CID 18893075
2,4-dichloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18893079
2-chloro-N-[2-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide
CID 18893217
N-[4-[(3,5-dichlorophenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893289
2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630
2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893032

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide (CID 18893127) is 2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1F)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is YYFBNJLXEZQIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl5FN2O3S/c20-9-1-3-11(12(21)5-9)19(28)26-17-4-2-10(6-16(17)25)31(29,30)27-18-8-14(23)13(22)7-15(18)24/h1-8,27H,(H,26,28).
What are the key properties of 2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide?
2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 542.63 g/mol, XLogP of 7.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 18893127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).