4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide

C21H16FNO4S — CID 10408494

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccccc23)cc1F
InChIInChI=1S/C21H16FNO4S/c1-26-19-11-8-14(12-17(19)22)20-16-4-2-3-5-18(16)27-21(20)13-6-9-15(10-7-13)28(23,24)25/h2-12H,1H3,(H2,23,24,25)
InChIKeyBZOBGQWGXDLWEF-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.56
Rot. Bonds4

About 4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide

4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide (PubChem CID 10408494) has the molecular formula C21H16FNO4S and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide
PubChem CID10408494
Molecular FormulaC21H16FNO4S
Molecular Weight397.43 g/mol
Exact Mass397.08
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide
SMILESCOc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccccc23)cc1F
InChIInChI=1S/C21H16FNO4S/c1-26-19-11-8-14(12-17(19)22)20-16-4-2-3-5-18(16)27-21(20)13-6-9-15(10-7-13)28(23,24)25/h2-12H,1H3,(H2,23,24,25)
InChIKeyBZOBGQWGXDLWEF-UHFFFAOYSA-N
XLogP4.56
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide (CID 10408494) is 4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide is COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccccc23)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide?
The InChIKey is BZOBGQWGXDLWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO4S/c1-26-19-11-8-14(12-17(19)22)20-16-4-2-3-5-18(16)27-21(20)13-6-9-15(10-7-13)28(23,24)25/h2-12H,1H3,(H2,23,24,25).
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide?
4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide has a molecular weight of 397.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methoxyphenyl)-1-benzofuran-2-yl]benzenesulfonamide is sourced from PubChem (CID 10408494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).