4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide

C16H15F3N2O3S — CID 120876491

IUPAC4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)CNC2)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C16H15F3N2O3S/c17-14-6-13(3-4-15(14)24-16(18)19)25(22,23)21-7-10-1-2-11-8-20-9-12(11)5-10/h1-6,16,20-21H,7-9H2
InChIKeyHPGLTQQVIKKNIL-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.51
Rot. Bonds6

About 4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide

4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide (PubChem CID 120876491) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide
PubChem CID120876491
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)CNC2)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C16H15F3N2O3S/c17-14-6-13(3-4-15(14)24-16(18)19)25(22,23)21-7-10-1-2-11-8-20-9-12(11)5-10/h1-6,16,20-21H,7-9H2
InChIKeyHPGLTQQVIKKNIL-UHFFFAOYSA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzenesulfonamide
CID 105357704
4-butan-2-yl-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)benzenesulfonamide;hydrochloride
CID 120724244
4-(difluoromethoxy)-3-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120874605
4-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-N,2-dimethylbenzene-1,4-disulfonamide;hydrochloride
CID 120876482
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 120724251
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821
4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120877054
N-[(3-methylphenyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421919
4-(difluoromethoxy)-3-fluoro-N-[[(2S)-piperidin-2-yl]methyl]benzenesulfonamide
CID 124741535
ethyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)benzoate
CID 120724132
N-(2-amino-2-ethylbutyl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide
CID 120875444

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide (CID 120876491) is 4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide is O=S(=O)(NCc1ccc2c(c1)CNC2)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide?
The InChIKey is HPGLTQQVIKKNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c17-14-6-13(3-4-15(14)24-16(18)19)25(22,23)21-7-10-1-2-11-8-20-9-12(11)5-10/h1-6,16,20-21H,7-9H2.
What are the key properties of 4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide?
4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide has a molecular weight of 372.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 120876491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).