5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide

C22H20ClFN2O3S — CID 5142552

IUPAC5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2F)c1C
InChIInChI=1S/C22H20ClFN2O3S/c1-14-6-5-9-21(15(14)2)26-22(27)18-12-17(10-11-20(18)24)30(28,29)25-13-16-7-3-4-8-19(16)23/h3-12,25H,13H2,1-2H3,(H,26,27)
InChIKeyDJLGXUVQIXXFAO-UHFFFAOYSA-N
MW446.93 g/mol
LogP4.83
Rot. Bonds6

About 5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide

5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide (PubChem CID 5142552) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide
PubChem CID5142552
Molecular FormulaC22H20ClFN2O3S
Molecular Weight446.93 g/mol
Exact Mass446.09
IUPAC Name5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2F)c1C
InChIInChI=1S/C22H20ClFN2O3S/c1-14-6-5-9-21(15(14)2)26-22(27)18-12-17(10-11-20(18)24)30(28,29)25-13-16-7-3-4-8-19(16)23/h3-12,25H,13H2,1-2H3,(H,26,27)
InChIKeyDJLGXUVQIXXFAO-UHFFFAOYSA-N
XLogP4.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 15994437
N-(2,3-dichlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 3255952
2,4-dichloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18893079
4-chloro-N-[4-[(2-chlorophenyl)methylsulfamoyl]-2-fluorophenyl]benzamide
CID 18892590
5-(benzylsulfamoyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide
CID 4094024
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
N-[2-chloro-4-[(2-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25037659
5-(cyclohexylsulfamoyl)-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 4102001
5-(4-benzylpiperidin-1-yl)sulfonyl-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 5142544
N-(4-chlorophenyl)-2-fluoro-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4085580
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
CID 30281742
N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 3452162

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide (CID 5142552) is 5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3Cl)ccc2F)c1C.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide?
The InChIKey is DJLGXUVQIXXFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c1-14-6-5-9-21(15(14)2)26-22(27)18-12-17(10-11-20(18)24)30(28,29)25-13-16-7-3-4-8-19(16)23/h3-12,25H,13H2,1-2H3,(H,26,27).
What are the key properties of 5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide?
5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide has a molecular weight of 446.93 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 5142552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).