N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide

C15H10F3NO4S — CID 2811662

IUPACN-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C1OCc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C15H10F3NO4S/c16-15(17,18)10-2-5-12(6-3-10)24(21,22)19-11-4-1-9-8-23-14(20)13(9)7-11/h1-7,19H,8H2
InChIKeyFUUCLZFTFNYEHF-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.18
Rot. Bonds3

About N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 2811662) has the molecular formula C15H10F3NO4S and a molecular weight of 357.31 g/mol. Its IUPAC name is N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID2811662
Molecular FormulaC15H10F3NO4S
Molecular Weight357.31 g/mol
Exact Mass357.03
IUPAC NameN-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C1OCc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C15H10F3NO4S/c16-15(17,18)10-2-5-12(6-3-10)24(21,22)19-11-4-1-9-8-23-14(20)13(9)7-11/h1-7,19H,8H2
InChIKeyFUUCLZFTFNYEHF-UHFFFAOYSA-N
XLogP3.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 2811662) is N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide is O=C1OCc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FUUCLZFTFNYEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO4S/c16-15(17,18)10-2-5-12(6-3-10)24(21,22)19-11-4-1-9-8-23-14(20)13(9)7-11/h1-7,19H,8H2.
What are the key properties of N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 357.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1H-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2811662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).