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

C13H10F3N3O3S — CID 166375644

IUPACN-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1cnc(C(F)(F)F)nc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H10F3N3O3S/c14-13(15,16)12-17-6-9(7-18-12)19-23(20,21)10-1-2-11-8(5-10)3-4-22-11/h1-2,5-7,19H,3-4H2
InChIKeyWVGDLWYMOBXVLF-UHFFFAOYSA-N
MW345.30 g/mol
LogP2.23
Rot. Bonds3

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

N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 166375644) has the molecular formula C13H10F3N3O3S and a molecular weight of 345.30 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID166375644
Molecular FormulaC13H10F3N3O3S
Molecular Weight345.30 g/mol
Exact Mass345.04
IUPAC NameN-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(Nc1cnc(C(F)(F)F)nc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H10F3N3O3S/c14-13(15,16)12-17-6-9(7-18-12)19-23(20,21)10-1-2-11-8(5-10)3-4-22-11/h1-2,5-7,19H,3-4H2
InChIKeyWVGDLWYMOBXVLF-UHFFFAOYSA-N
XLogP2.23
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(trifluoromethyl)pyrimidin-5-yl]-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

Related Compounds

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122303153
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 115733543
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51072921
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 115631156
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60661387
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807417
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968299
N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104621139

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 166375644) is N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(Nc1cnc(C(F)(F)F)nc1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is WVGDLWYMOBXVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O3S/c14-13(15,16)12-17-6-9(7-18-12)19-23(20,21)10-1-2-11-8(5-10)3-4-22-11/h1-2,5-7,19H,3-4H2.
What are the key properties of N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 345.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 166375644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).