N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide

C15H12FNO2S — CID 107030521

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide
SMILESO=C(NC1COc2ccccc21)c1cc(S)ccc1F
InChIInChI=1S/C15H12FNO2S/c16-12-6-5-9(20)7-11(12)15(18)17-13-8-19-14-4-2-1-3-10(13)14/h1-7,13,20H,8H2,(H,17,18)
InChIKeyTZTNJBBLZHYIQR-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.98
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide

N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide (PubChem CID 107030521) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide
PubChem CID107030521
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide
SMILESO=C(NC1COc2ccccc21)c1cc(S)ccc1F
InChIInChI=1S/C15H12FNO2S/c16-12-6-5-9(20)7-11(12)15(18)17-13-8-19-14-4-2-1-3-10(13)14/h1-7,13,20H,8H2,(H,17,18)
InChIKeyTZTNJBBLZHYIQR-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide
CID 110751620
3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide
CID 103707167
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-sulfanylbenzamide
CID 107028267
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 62070746
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide
CID 103892306
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide
CID 62071970
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 94828983
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 94840101
1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 97003353

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide (CID 107030521) is N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide is O=C(NC1COc2ccccc21)c1cc(S)ccc1F.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide?
The InChIKey is TZTNJBBLZHYIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S/c16-12-6-5-9(20)7-11(12)15(18)17-13-8-19-14-4-2-1-3-10(13)14/h1-7,13,20H,8H2,(H,17,18).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide?
N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide has a molecular weight of 289.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide is sourced from PubChem (CID 107030521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).