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

C28H21NO4S — CID 57388026

IUPACN-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1)c1ccccc1
InChIInChI=1S/C28H21NO4S/c30-24-9-5-6-19(18-24)20-12-14-26-21(16-20)13-15-27(31)28(26)22-7-4-8-23(17-22)29-34(32,33)25-10-2-1-3-11-25/h1-18,29-31H
InChIKeyJLXZFOKLMHPLGF-UHFFFAOYSA-N
MW467.55 g/mol
LogP6.39
Rot. Bonds5

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

N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide (PubChem CID 57388026) has the molecular formula C28H21NO4S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
PubChem CID57388026
Molecular FormulaC28H21NO4S
Molecular Weight467.55 g/mol
Exact Mass467.12
IUPAC NameN-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1)c1ccccc1
InChIInChI=1S/C28H21NO4S/c30-24-9-5-6-19(18-24)20-12-14-26-21(16-20)13-15-27(31)28(26)22-7-4-8-23(17-22)29-34(32,33)25-10-2-1-3-11-25/h1-18,29-31H
InChIKeyJLXZFOKLMHPLGF-UHFFFAOYSA-N
XLogP6.39
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 56.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide (CID 57388026) is N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 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)c1ccccc1.
What is the InChIKey of N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The InChIKey is JLXZFOKLMHPLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO4S/c30-24-9-5-6-19(18-24)20-12-14-26-21(16-20)13-15-27(31)28(26)22-7-4-8-23(17-22)29-34(32,33)25-10-2-1-3-11-25/h1-18,29-31H.
What are the key properties of N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide has a molecular weight of 467.55 g/mol, XLogP of 6.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 57388026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).