N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide

C22H21FN2O3S — CID 112770779

IUPACN-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O3S/c1-3-16-6-4-5-15(2)21(16)24-22(26)17-7-11-19(12-8-17)25-29(27,28)20-13-9-18(23)10-14-20/h4-14,25H,3H2,1-2H3,(H,24,26)
InChIKeyVCJXJGJVSXTJPC-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.75
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide

N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 112770779) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID112770779
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC NameN-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H21FN2O3S/c1-3-16-6-4-5-15(2)21(16)24-22(26)17-7-11-19(12-8-17)25-29(27,28)20-13-9-18(23)10-14-20/h4-14,25H,3H2,1-2H3,(H,24,26)
InChIKeyVCJXJGJVSXTJPC-UHFFFAOYSA-N
XLogP4.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 112770782
N-(2-ethyl-6-methylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 112770780
N-(2,6-dimethylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 109061714
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 8015612
N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 112770785
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 55865615
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 17472251
4-(cyclopropylsulfamoyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 109058401
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061292

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide (CID 112770779) is N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide is CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is VCJXJGJVSXTJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-3-16-6-4-5-15(2)21(16)24-22(26)17-7-11-19(12-8-17)25-29(27,28)20-13-9-18(23)10-14-20/h4-14,25H,3H2,1-2H3,(H,24,26).
What are the key properties of N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide?
N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 412.49 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 112770779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).