4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide

C14H14FNO3S — CID 42950011

IUPAC4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCc2occc21)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c15-10-4-6-11(7-5-10)20(17,18)16-13-2-1-3-14-12(13)8-9-19-14/h4-9,13,16H,1-3H2
InChIKeyMARTTXCCBJLSFY-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.77
Rot. Bonds3

About 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide

4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide (PubChem CID 42950011) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide
PubChem CID42950011
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC Name4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCc2occc21)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c15-10-4-6-11(7-5-10)20(17,18)16-13-2-1-3-14-12(13)8-9-19-14/h4-9,13,16H,1-3H2
InChIKeyMARTTXCCBJLSFY-UHFFFAOYSA-N
XLogP2.77
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide (CID 42950011) is 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide is O=S(=O)(NC1CCCc2occc21)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide?
The InChIKey is MARTTXCCBJLSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c15-10-4-6-11(7-5-10)20(17,18)16-13-2-1-3-14-12(13)8-9-19-14/h4-9,13,16H,1-3H2.
What are the key properties of 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide?
4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide has a molecular weight of 295.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide is sourced from PubChem (CID 42950011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).