N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide

C23H22ClFN2O3S — CID 4136787

IUPACN-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C23H22ClFN2O3S/c1-4-27(17-8-5-7-15(2)13-17)31(29,30)18-11-12-21(25)19(14-18)23(28)26-22-10-6-9-20(24)16(22)3/h5-14H,4H2,1-3H3,(H,26,28)
InChIKeyUVCKFAJYPNFPPJ-UHFFFAOYSA-N
MW460.96 g/mol
LogP5.56
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide

N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide (PubChem CID 4136787) has the molecular formula C23H22ClFN2O3S and a molecular weight of 460.96 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
PubChem CID4136787
Molecular FormulaC23H22ClFN2O3S
Molecular Weight460.96 g/mol
Exact Mass460.10
IUPAC NameN-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2C)c1
InChIInChI=1S/C23H22ClFN2O3S/c1-4-27(17-8-5-7-15(2)13-17)31(29,30)18-11-12-21(25)19(14-18)23(28)26-22-10-6-9-20(24)16(22)3/h5-14H,4H2,1-3H3,(H,26,28)
InChIKeyUVCKFAJYPNFPPJ-UHFFFAOYSA-N
XLogP5.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.96
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
CID 4119863
N-(3-chloro-2-methylphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 15994437
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 3988953
N-(3-chloro-2-methylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8780488
5-(diethylsulfamoyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 7733082
N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 3452162
5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
CID 26087674
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
CID 2344205
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide
CID 3284151
5-[(2-chlorophenyl)methylsulfamoyl]-N-(2,3-dimethylphenyl)-2-fluorobenzamide
CID 5142552
N-(2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62509353
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide (CID 4136787) is N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide is CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2C)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide?
The InChIKey is UVCKFAJYPNFPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O3S/c1-4-27(17-8-5-7-15(2)13-17)31(29,30)18-11-12-21(25)19(14-18)23(28)26-22-10-6-9-20(24)16(22)3/h5-14H,4H2,1-3H3,(H,26,28).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide?
N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide has a molecular weight of 460.96 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide is sourced from PubChem (CID 4136787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).