3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide

C23H23FN2O3S — CID 78794508

IUPAC3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)c(C)c1
InChIInChI=1S/C23H23FN2O3S/c1-14-10-16(3)22(17(4)11-14)25-23(27)18-6-5-7-19(12-18)26-30(28,29)20-9-8-15(2)21(24)13-20/h5-13,26H,1-4H3,(H,25,27)
InChIKeyDXYUGGHAJPCYLH-UHFFFAOYSA-N
MW426.51 g/mol
LogP5.11
Rot. Bonds5

About 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 78794508) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID78794508
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)c(C)c1
InChIInChI=1S/C23H23FN2O3S/c1-14-10-16(3)22(17(4)11-14)25-23(27)18-6-5-7-19(12-18)26-30(28,29)20-9-8-15(2)21(24)13-20/h5-13,26H,1-4H3,(H,25,27)
InChIKeyDXYUGGHAJPCYLH-UHFFFAOYSA-N
XLogP5.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-fluorophenyl)benzamide
CID 9412516
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 9416278
N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 112770785
N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 9342427
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 27760804
N-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
CID 34752536
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835606
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33033434
N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55980726
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 134050501
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593247

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide (CID 78794508) is 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)c(C)c1.
What is the InChIKey of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is DXYUGGHAJPCYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-14-10-16(3)22(17(4)11-14)25-23(27)18-6-5-7-19(12-18)26-30(28,29)20-9-8-15(2)21(24)13-20/h5-13,26H,1-4H3,(H,25,27).
What are the key properties of 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide?
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 426.51 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 78794508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).