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

C28H20FNO4S — CID 57384261

IUPAC3-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)c1cccc(F)c1
InChIInChI=1S/C28H20FNO4S/c29-22-6-3-9-25(17-22)35(33,34)30-23-7-1-5-21(15-23)28-26-12-10-19(14-20(26)11-13-27(28)32)18-4-2-8-24(31)16-18/h1-17,30-32H
InChIKeyTUMIZHMXNVAABX-UHFFFAOYSA-N
MW485.54 g/mol
LogP6.52
Rot. Bonds5

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

3-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide (PubChem CID 57384261) has the molecular formula C28H20FNO4S and a molecular weight of 485.54 g/mol. Its IUPAC name is 3-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
PubChem CID57384261
Molecular FormulaC28H20FNO4S
Molecular Weight485.54 g/mol
Exact Mass485.11
IUPAC Name3-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)c1cccc(F)c1
InChIInChI=1S/C28H20FNO4S/c29-22-6-3-9-25(17-22)35(33,34)30-23-7-1-5-21(15-23)28-26-12-10-19(14-20(26)11-13-27(28)32)18-4-2-8-24(31)16-18/h1-17,30-32H
InChIKeyTUMIZHMXNVAABX-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 3-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide (CID 57384261) is 3-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-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)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The InChIKey is TUMIZHMXNVAABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FNO4S/c29-22-6-3-9-25(17-22)35(33,34)30-23-7-1-5-21(15-23)28-26-12-10-19(14-20(26)11-13-27(28)32)18-4-2-8-24(31)16-18/h1-17,30-32H.
What are the key properties of 3-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
3-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 3-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 57384261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).