2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide

C21H17Cl2FN2O3S — CID 18893102

IUPAC2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c1
InChIInChI=1S/C21H17Cl2FN2O3S/c1-12-7-13(2)9-15(8-12)26-30(28,29)16-4-6-20(19(24)11-16)25-21(27)17-5-3-14(22)10-18(17)23/h3-11,26H,1-2H3,(H,25,27)
InChIKeyHHEQOBYUKGKKFT-UHFFFAOYSA-N
MW467.35 g/mol
LogP5.80
Rot. Bonds5

About 2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide

2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide (PubChem CID 18893102) has the molecular formula C21H17Cl2FN2O3S and a molecular weight of 467.35 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
PubChem CID18893102
Molecular FormulaC21H17Cl2FN2O3S
Molecular Weight467.35 g/mol
Exact Mass466.03
IUPAC Name2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c1
InChIInChI=1S/C21H17Cl2FN2O3S/c1-12-7-13(2)9-15(8-12)26-30(28,29)16-4-6-20(19(24)11-16)25-21(27)17-5-3-14(22)10-18(17)23/h3-11,26H,1-2H3,(H,25,27)
InChIKeyHHEQOBYUKGKKFT-UHFFFAOYSA-N
XLogP5.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.35
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-fluoro-4-[(2,4,5-trichlorophenyl)sulfamoyl]phenyl]benzamide
CID 18893127
2,4-dichloro-N-[4-[(3-chlorophenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893111
2,4-dichloro-N-[2-fluoro-4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]benzamide
CID 18893105
N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2,4-dichlorobenzamide
CID 18893156
2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893144
2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630
2,4-dichloro-N-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenyl]benzamide
CID 18893075
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
N-[4-[(3,5-dichlorophenyl)sulfamoyl]-2-fluorophenyl]-2-fluorobenzamide
CID 18893289
2-chloro-N-(2-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43910411
2,4-dichloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18893079
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide (CID 18893102) is 2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)c1.
What is the InChIKey of 2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
The InChIKey is HHEQOBYUKGKKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2O3S/c1-12-7-13(2)9-15(8-12)26-30(28,29)16-4-6-20(19(24)11-16)25-21(27)17-5-3-14(22)10-18(17)23/h3-11,26H,1-2H3,(H,25,27).
What are the key properties of 2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide?
2,4-dichloro-N-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide has a molecular weight of 467.35 g/mol, XLogP of 5.80, 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-[4-[(3,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide is sourced from PubChem (CID 18893102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).