N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

C18H18F4N2O3S — CID 47516560

IUPACN,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F4N2O3S/c1-3-24(4-2)17(25)12-5-7-13(8-6-12)23-28(26,27)14-9-10-16(19)15(11-14)18(20,21)22/h5-11,23H,3-4H2,1-2H3
InChIKeyTWZGJIXAPNLXDF-UHFFFAOYSA-N
MW418.41 g/mol
LogP4.13
Rot. Bonds6

About N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (PubChem CID 47516560) has the molecular formula C18H18F4N2O3S and a molecular weight of 418.41 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
PubChem CID47516560
Molecular FormulaC18H18F4N2O3S
Molecular Weight418.41 g/mol
Exact Mass418.10
IUPAC NameN,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F4N2O3S/c1-3-24(4-2)17(25)12-5-7-13(8-6-12)23-28(26,27)14-9-10-16(19)15(11-14)18(20,21)22/h5-11,23H,3-4H2,1-2H3
InChIKeyTWZGJIXAPNLXDF-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide
CID 47516564
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 31832383
4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3694127
N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 7938792
4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide
CID 51177921
N,N-diethyl-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 47946318
4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide
CID 2683843
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515
4-[(3,4-difluorophenyl)sulfonylamino]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 26619602
4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (CID 47516560) is N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The InChIKey is TWZGJIXAPNLXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O3S/c1-3-24(4-2)17(25)12-5-7-13(8-6-12)23-28(26,27)14-9-10-16(19)15(11-14)18(20,21)22/h5-11,23H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide has a molecular weight of 418.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 47516560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).