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

C20H13ClFNO3S — CID 54771210

IUPAC4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(-c2ccccc2)oc2ccc(F)cc12)c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClFNO3S/c21-14-6-9-16(10-7-14)27(24,25)23-19-17-12-15(22)8-11-18(17)26-20(19)13-4-2-1-3-5-13/h1-12,23H
InChIKeyMPUDWCHPXGXYRO-UHFFFAOYSA-N
MW401.85 g/mol
LogP5.69
Rot. Bonds4

About 4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide

4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide (PubChem CID 54771210) has the molecular formula C20H13ClFNO3S and a molecular weight of 401.85 g/mol. Its IUPAC name is 4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide
PubChem CID54771210
Molecular FormulaC20H13ClFNO3S
Molecular Weight401.85 g/mol
Exact Mass401.03
IUPAC Name4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1c(-c2ccccc2)oc2ccc(F)cc12)c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClFNO3S/c21-14-6-9-16(10-7-14)27(24,25)23-19-17-12-15(22)8-11-18(17)26-20(19)13-4-2-1-3-5-13/h1-12,23H
InChIKeyMPUDWCHPXGXYRO-UHFFFAOYSA-N
XLogP5.69
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.85
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide (CID 54771210) is 4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide is O=S(=O)(Nc1c(-c2ccccc2)oc2ccc(F)cc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide?
The InChIKey is MPUDWCHPXGXYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFNO3S/c21-14-6-9-16(10-7-14)27(24,25)23-19-17-12-15(22)8-11-18(17)26-20(19)13-4-2-1-3-5-13/h1-12,23H.
What are the key properties of 4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide?
4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide has a molecular weight of 401.85 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-fluoro-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide is sourced from PubChem (CID 54771210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).