N-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide

C16H14FNO4S — CID 177371950

IUPACN-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc2c(c1)OCC2)c1ccccc1F
InChIInChI=1S/C16H14FNO4S/c17-14-4-2-1-3-13(14)15(19)10-18-23(20,21)12-6-5-11-7-8-22-16(11)9-12/h1-6,9,18H,7-8,10H2
InChIKeyQAKCYJPLFMCLGG-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.92
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide

N-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide (PubChem CID 177371950) has the molecular formula C16H14FNO4S and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide
PubChem CID177371950
Molecular FormulaC16H14FNO4S
Molecular Weight335.36 g/mol
Exact Mass335.06
IUPAC NameN-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc2c(c1)OCC2)c1ccccc1F
InChIInChI=1S/C16H14FNO4S/c17-14-4-2-1-3-13(14)15(19)10-18-23(20,21)12-6-5-11-7-8-22-16(11)9-12/h1-6,9,18H,7-8,10H2
InChIKeyQAKCYJPLFMCLGG-UHFFFAOYSA-N
XLogP1.92
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 2530930
ethyl 4-(N-(2-(4-fluorophenoxy)ethyl)sulfamoyl)benzoate
CID 30867087
N-[2-(1-benzofuran-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 90143349
3-acetyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
CID 2438813
Ethyl 2-[(7-fluoro-1-benzofuran-2-yl)sulfonylamino]acetate
CID 15158745
2-[(7-Fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid
CID 15158757
5-fluoro-N-propan-2-yl-1-benzofuran-2-sulfonamide
CID 122685662
2-[(5-Fluoro-1-benzofuran-2-yl)sulfonylamino]acetic acid
CID 122693540
N-[(4-fluorophenyl)methoxy]-1-benzofuran-2-sulfonamide
CID 129056895
2-fluoro-N-[2-(3-fluoro-5-propoxyphenyl)-2-oxoethyl]benzenesulfonamide
CID 147146770
N-[2-(3-cyclopropyloxy-5-methylphenyl)-2-oxoethyl]-2-fluorobenzenesulfonamide
CID 148266243
N-[2-[3-(cyclopropylmethoxy)phenyl]-2-oxoethyl]-2-fluorobenzenesulfonamide
CID 148678846

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide (CID 177371950) is N-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide is O=C(CNS(=O)(=O)c1ccc2c(c1)OCC2)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide?
The InChIKey is QAKCYJPLFMCLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4S/c17-14-4-2-1-3-13(14)15(19)10-18-23(20,21)12-6-5-11-7-8-22-16(11)9-12/h1-6,9,18H,7-8,10H2.
What are the key properties of N-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide?
N-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide has a molecular weight of 335.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-oxoethyl]-2,3-dihydro-1-benzofuran-6-sulfonamide is sourced from PubChem (CID 177371950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).