4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide

C24H16FNO3S — CID 139189649

IUPAC4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(-c2ccccc2)oc2ccc3ccccc3c12)c1ccc(F)cc1
InChIInChI=1S/C24H16FNO3S/c25-18-11-13-19(14-12-18)30(27,28)26-23-22-20-9-5-4-6-16(20)10-15-21(22)29-24(23)17-7-2-1-3-8-17/h1-15,26H
InChIKeyZRANOVKTVUTSHI-UHFFFAOYSA-N
MW417.46 g/mol
LogP6.19
Rot. Bonds4

About 4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide

4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide (PubChem CID 139189649) has the molecular formula C24H16FNO3S and a molecular weight of 417.46 g/mol. Its IUPAC name is 4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide
PubChem CID139189649
Molecular FormulaC24H16FNO3S
Molecular Weight417.46 g/mol
Exact Mass417.08
IUPAC Name4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(-c2ccccc2)oc2ccc3ccccc3c12)c1ccc(F)cc1
InChIInChI=1S/C24H16FNO3S/c25-18-11-13-19(14-12-18)30(27,28)26-23-22-20-9-5-4-6-16(20)10-15-21(22)29-24(23)17-7-2-1-3-8-17/h1-15,26H
InChIKeyZRANOVKTVUTSHI-UHFFFAOYSA-N
XLogP6.19
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide (CID 139189649) is 4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide is O=S(=O)(Nc1c(-c2ccccc2)oc2ccc3ccccc3c12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide?
The InChIKey is ZRANOVKTVUTSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO3S/c25-18-11-13-19(14-12-18)30(27,28)26-23-22-20-9-5-4-6-16(20)10-15-21(22)29-24(23)17-7-2-1-3-8-17/h1-15,26H.
What are the key properties of 4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide?
4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide has a molecular weight of 417.46 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-phenylbenzo[e][1]benzofuran-1-yl)benzenesulfonamide is sourced from PubChem (CID 139189649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).