N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide

C16H15F3N2O2S — CID 120723910

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)CNC2)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)14-3-1-2-4-15(14)24(22,23)21-8-11-5-6-12-9-20-10-13(12)7-11/h1-7,20-21H,8-10H2
InChIKeyJHGNNNPIMWPEHI-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.79
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 120723910) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID120723910
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)CNC2)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)14-3-1-2-4-15(14)24(22,23)21-8-11-5-6-12-9-20-10-13(12)7-11/h1-7,20-21H,8-10H2
InChIKeyJHGNNNPIMWPEHI-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 120723919
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 105357849
N-[(4-fluoro-3-methylphenyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 24581067
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114694184
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 105357708
4-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120724230
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide
CID 105357704
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 39794775
2-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120724258
2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide
CID 105357791
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethoxybenzenesulfonamide
CID 120724219
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methyl-5-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120724268

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 120723910) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1ccc2c(c1)CNC2)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JHGNNNPIMWPEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c17-16(18,19)14-3-1-2-4-15(14)24(22,23)21-8-11-5-6-12-9-20-10-13(12)7-11/h1-7,20-21H,8-10H2.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 356.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120723910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).