3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran

C15H13FO3S — CID 79230016

IUPAC3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran
SMILESO=S(=O)(CC1COc2ccccc21)c1ccccc1F
InChIInChI=1S/C15H13FO3S/c16-13-6-2-4-8-15(13)20(17,18)10-11-9-19-14-7-3-1-5-12(11)14/h1-8,11H,9-10H2
InChIKeyNBPWZUPTZDIHJL-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.78
Rot. Bonds3

About 3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran

3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran (PubChem CID 79230016) has the molecular formula C15H13FO3S and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran
PubChem CID79230016
Molecular FormulaC15H13FO3S
Molecular Weight292.33 g/mol
Exact Mass292.06
IUPAC Name3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran
SMILESO=S(=O)(CC1COc2ccccc21)c1ccccc1F
InChIInChI=1S/C15H13FO3S/c16-13-6-2-4-8-15(13)20(17,18)10-11-9-19-14-7-3-1-5-12(11)14/h1-8,11H,9-10H2
InChIKeyNBPWZUPTZDIHJL-UHFFFAOYSA-N
XLogP2.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran 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

3-(2-fluorophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-amine
CID 64645343
3-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)azetidine
CID 81197467
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonyl)propanoic acid
CID 79229941
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 126853982
2-[(2-fluorophenyl)sulfonylmethyl]oxane
CID 64716675
2-[1-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonylmethyl)cyclopropyl]acetic acid
CID 79218927
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,5-difluoroaniline
CID 107611014
4-[(2-fluorophenyl)sulfonylmethyl]oxane;4-(iodomethyl)oxane
CID 159028930
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran (CID 79230016) is 3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran is O=S(=O)(CC1COc2ccccc21)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is NBPWZUPTZDIHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3S/c16-13-6-2-4-8-15(13)20(17,18)10-11-9-19-14-7-3-1-5-12(11)14/h1-8,11H,9-10H2.
What are the key properties of 3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran?
3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 292.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 79230016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).