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

C23H23FN2O3S — CID 112770785

IUPACN-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
SMILESCCc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C23H23FN2O3S/c1-4-17-8-5-7-16(3)22(17)25-23(27)18-9-6-10-19(13-18)26-30(28,29)20-12-11-15(2)21(24)14-20/h5-14,26H,4H2,1-3H3,(H,25,27)
InChIKeyZZEXQINWLWKITO-UHFFFAOYSA-N
MW426.51 g/mol
LogP5.06
Rot. Bonds6

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

N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide (PubChem CID 112770785) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
PubChem CID112770785
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
SMILESCCc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C23H23FN2O3S/c1-4-17-8-5-7-16(3)22(17)25-23(27)18-9-6-10-19(13-18)26-30(28,29)20-12-11-15(2)21(24)14-20/h5-14,26H,4H2,1-3H3,(H,25,27)
InChIKeyZZEXQINWLWKITO-UHFFFAOYSA-N
XLogP5.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzamide
CID 78794508
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 27760804
N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 9342427
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-[4-(ethylcarbamoyl)phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55816215
N-(2-ethyl-6-methylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 112770779
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33033434
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 155967978
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835606
2-[[3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
CID 34752536
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593247

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide (CID 112770785) is N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide is CCc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is ZZEXQINWLWKITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-4-17-8-5-7-16(3)22(17)25-23(27)18-9-6-10-19(13-18)26-30(28,29)20-12-11-15(2)21(24)14-20/h5-14,26H,4H2,1-3H3,(H,25,27).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide?
N-(2-ethyl-6-methylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 426.51 g/mol, XLogP of 5.06, 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)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 112770785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).