N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide

C15H12F3NO4S — CID 1190497

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H12F3NO4S/c16-15(17,18)11-3-1-2-4-14(11)24(20,21)19-10-5-6-12-13(9-10)23-8-7-22-12/h1-6,9,19H,7-8H2
InChIKeyUKBBMCLBWHLZEM-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.28
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 1190497) has the molecular formula C15H12F3NO4S and a molecular weight of 359.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID1190497
Molecular FormulaC15H12F3NO4S
Molecular Weight359.33 g/mol
Exact Mass359.04
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H12F3NO4S/c16-15(17,18)11-3-1-2-4-14(11)24(20,21)19-10-5-6-12-13(9-10)23-8-7-22-12/h1-6,9,19H,7-8H2
InChIKeyUKBBMCLBWHLZEM-UHFFFAOYSA-N
XLogP3.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 1190497) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UKBBMCLBWHLZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4S/c16-15(17,18)11-3-1-2-4-14(11)24(20,21)19-10-5-6-12-13(9-10)23-8-7-22-12/h1-6,9,19H,7-8H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 359.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 1190497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).