N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

C16H15F3N2O3S — CID 25494632

IUPACN,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCN(C)C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O3S/c1-21(2)15(22)13-8-3-4-9-14(13)20-25(23,24)12-7-5-6-11(10-12)16(17,18)19/h3-10,20H,1-2H3
InChIKeyHBTIRGIXOQKNSU-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.21
Rot. Bonds4

About N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (PubChem CID 25494632) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
PubChem CID25494632
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC NameN,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCN(C)C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O3S/c1-21(2)15(22)13-8-3-4-9-14(13)20-25(23,24)12-7-5-6-11(10-12)16(17,18)19/h3-10,20H,1-2H3
InChIKeyHBTIRGIXOQKNSU-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 78843246
N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2333973
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 55621279
N-(pyridin-3-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2336757
N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30825076
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 5036401
N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536122
N-[2-(2-methylmorpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24666353
N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536163

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (CID 25494632) is N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is CN(C)C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The InChIKey is HBTIRGIXOQKNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-21(2)15(22)13-8-3-4-9-14(13)20-25(23,24)12-7-5-6-11(10-12)16(17,18)19/h3-10,20H,1-2H3.
What are the key properties of N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide has a molecular weight of 372.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 25494632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).