4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide

C15H12F4N2O3S — CID 47516564

IUPAC4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12F4N2O3S/c1-20-14(22)9-2-4-10(5-3-9)21-25(23,24)11-6-7-13(16)12(8-11)15(17,18)19/h2-8,21H,1H3,(H,20,22)
InChIKeyXICHHYDRBYFYNJ-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.00
Rot. Bonds4

About 4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide

4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide (PubChem CID 47516564) has the molecular formula C15H12F4N2O3S and a molecular weight of 376.33 g/mol. Its IUPAC name is 4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide
PubChem CID47516564
Molecular FormulaC15H12F4N2O3S
Molecular Weight376.33 g/mol
Exact Mass376.05
IUPAC Name4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12F4N2O3S/c1-20-14(22)9-2-4-10(5-3-9)21-25(23,24)11-6-7-13(16)12(8-11)15(17,18)19/h2-8,21H,1H3,(H,20,22)
InChIKeyXICHHYDRBYFYNJ-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47516560
4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3694127
2-[[4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]amino]propanoic acid
CID 15676596
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 51125858
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064256
2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
CID 55990230
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 30910349
4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]-2-fluorophenyl]benzamide
CID 18892646
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342

Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide?
The IUPAC name of 4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide (CID 47516564) is 4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide?
The canonical SMILES for 4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide is CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide?
The InChIKey is XICHHYDRBYFYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O3S/c1-20-14(22)9-2-4-10(5-3-9)21-25(23,24)11-6-7-13(16)12(8-11)15(17,18)19/h2-8,21H,1H3,(H,20,22).
What are the key properties of 4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide?
4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide has a molecular weight of 376.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 47516564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).