2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide

C28H20FNO4S — CID 57384260

IUPAC2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1)c1ccccc1F
InChIInChI=1S/C28H20FNO4S/c29-25-9-1-2-10-27(25)35(33,34)30-22-7-3-6-21(16-22)28-24-13-11-19(15-20(24)12-14-26(28)32)18-5-4-8-23(31)17-18/h1-17,30-32H
InChIKeyCYYYSDGFHQVDLC-UHFFFAOYSA-N
MW485.54 g/mol
LogP6.52
Rot. Bonds5

About 2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide

2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide (PubChem CID 57384260) has the molecular formula C28H20FNO4S and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
PubChem CID57384260
Molecular FormulaC28H20FNO4S
Molecular Weight485.54 g/mol
Exact Mass485.11
IUPAC Name2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1)c1ccccc1F
InChIInChI=1S/C28H20FNO4S/c29-25-9-1-2-10-27(25)35(33,34)30-22-7-3-6-21(16-22)28-24-13-11-19(15-20(24)12-14-26(28)32)18-5-4-8-23(31)17-18/h1-17,30-32H
InChIKeyCYYYSDGFHQVDLC-UHFFFAOYSA-N
XLogP6.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 56.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide (CID 57384260) is 2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The InChIKey is CYYYSDGFHQVDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FNO4S/c29-25-9-1-2-10-27(25)35(33,34)30-22-7-3-6-21(16-22)28-24-13-11-19(15-20(24)12-14-26(28)32)18-5-4-8-23(31)17-18/h1-17,30-32H.
What are the key properties of 2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide has a molecular weight of 485.54 g/mol, XLogP of 6.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 57384260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).