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

C16H15F3N2O3S — CID 120723919

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)CNC2)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H15F3N2O3S/c17-16(18,19)24-14-3-1-2-4-15(14)25(22,23)21-8-11-5-6-12-9-20-10-13(12)7-11/h1-7,20-21H,8-10H2
InChIKeyDYWAARJENFMSFR-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.67
Rot. Bonds5

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

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 120723919) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID120723919
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)CNC2)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H15F3N2O3S/c17-16(18,19)24-14-3-1-2-4-15(14)25(22,23)21-8-11-5-6-12-9-20-10-13(12)7-11/h1-7,20-21H,8-10H2
InChIKeyDYWAARJENFMSFR-UHFFFAOYSA-N
XLogP2.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 120723919) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1ccc2c(c1)CNC2)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is DYWAARJENFMSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c17-16(18,19)24-14-3-1-2-4-15(14)25(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-(trifluoromethoxy)benzenesulfonamide?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 372.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 120723919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).