N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C15H12F3NO3S — CID 2815475

IUPACN-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H12F3NO3S/c16-15(17,18)12-3-1-2-4-13(12)19-23(20,21)11-5-6-14-10(9-11)7-8-22-14/h1-6,9,19H,7-8H2
InChIKeyBBNUOGDJLUKEMA-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.44
Rot. Bonds3

About N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 2815475) has the molecular formula C15H12F3NO3S and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID2815475
Molecular FormulaC15H12F3NO3S
Molecular Weight343.33 g/mol
Exact Mass343.05
IUPAC NameN-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H12F3NO3S/c16-15(17,18)12-3-1-2-4-13(12)19-23(20,21)11-5-6-14-10(9-11)7-8-22-14/h1-6,9,19H,7-8H2
InChIKeyBBNUOGDJLUKEMA-UHFFFAOYSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 2815475) is N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is BBNUOGDJLUKEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3S/c16-15(17,18)12-3-1-2-4-13(12)19-23(20,21)11-5-6-14-10(9-11)7-8-22-14/h1-6,9,19H,7-8H2.
What are the key properties of N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 343.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 2815475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).