N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide

C20H14FNO3S — CID 54771216

IUPACN-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(-c2ccccc2)oc2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C20H14FNO3S/c21-15-11-12-18-17(13-15)19(20(25-18)14-7-3-1-4-8-14)22-26(23,24)16-9-5-2-6-10-16/h1-13,22H
InChIKeyYRDUQOMBHFPMNB-UHFFFAOYSA-N
MW367.40 g/mol
LogP5.04
Rot. Bonds4

About N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide

N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide (PubChem CID 54771216) has the molecular formula C20H14FNO3S and a molecular weight of 367.40 g/mol. Its IUPAC name is N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide
PubChem CID54771216
Molecular FormulaC20H14FNO3S
Molecular Weight367.40 g/mol
Exact Mass367.07
IUPAC NameN-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(-c2ccccc2)oc2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C20H14FNO3S/c21-15-11-12-18-17(13-15)19(20(25-18)14-7-3-1-4-8-14)22-26(23,24)16-9-5-2-6-10-16/h1-13,22H
InChIKeyYRDUQOMBHFPMNB-UHFFFAOYSA-N
XLogP5.04
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide?
The IUPAC name of N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide (CID 54771216) is N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide?
The canonical SMILES for N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide is O=S(=O)(Nc1c(-c2ccccc2)oc2ccc(F)cc12)c1ccccc1.
What is the InChIKey of N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide?
The InChIKey is YRDUQOMBHFPMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3S/c21-15-11-12-18-17(13-15)19(20(25-18)14-7-3-1-4-8-14)22-26(23,24)16-9-5-2-6-10-16/h1-13,22H.
What are the key properties of N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide?
N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide has a molecular weight of 367.40 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide is sourced from PubChem (CID 54771216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).