N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

C18H18F3NO3S — CID 135058672

IUPACN-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(C)C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO3S/c1-17(2,3)16(23)14-9-4-5-10-15(14)22-26(24,25)13-8-6-7-12(11-13)18(19,20)21/h4-11,22H,1-3H3
InChIKeyFTFSNGKPZOOGKV-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.74
Rot. Bonds4

About N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 135058672) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID135058672
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC NameN-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(C)C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO3S/c1-17(2,3)16(23)14-9-4-5-10-15(14)22-26(24,25)13-8-6-7-12(11-13)18(19,20)21/h4-11,22H,1-3H3
InChIKeyFTFSNGKPZOOGKV-UHFFFAOYSA-N
XLogP4.74
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536163
N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2333973
N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 78843246
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
N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536122
N-[2-(2-methylmorpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 24666353
N-(pyridin-3-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2336757
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 55621279

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 135058672) is N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is CC(C)(C)C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FTFSNGKPZOOGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c1-17(2,3)16(23)14-9-4-5-10-15(14)22-26(24,25)13-8-6-7-12(11-13)18(19,20)21/h4-11,22H,1-3H3.
What are the key properties of N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 385.41 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 135058672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).