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

C28H21NO5S — CID 57384263

IUPAC3-hydroxy-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(O)c1
InChIInChI=1S/C28H21NO5S/c30-23-7-2-4-18(16-23)19-10-12-26-20(14-19)11-13-27(32)28(26)21-5-1-6-22(15-21)29-35(33,34)25-9-3-8-24(31)17-25/h1-17,29-32H
InChIKeyHLLKCGQPNWBZKF-UHFFFAOYSA-N
MW483.55 g/mol
LogP6.09
Rot. Bonds5

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

3-hydroxy-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide (PubChem CID 57384263) has the molecular formula C28H21NO5S and a molecular weight of 483.55 g/mol. Its IUPAC name is 3-hydroxy-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
PubChem CID57384263
Molecular FormulaC28H21NO5S
Molecular Weight483.55 g/mol
Exact Mass483.11
IUPAC Name3-hydroxy-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(O)c1
InChIInChI=1S/C28H21NO5S/c30-23-7-2-4-18(16-23)19-10-12-26-20(14-19)11-13-27(32)28(26)21-5-1-6-22(15-21)29-35(33,34)25-9-3-8-24(31)17-25/h1-17,29-32H
InChIKeyHLLKCGQPNWBZKF-UHFFFAOYSA-N
XLogP6.09
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.55
LogP ≤ 56.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide (CID 57384263) is 3-hydroxy-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-hydroxy-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(O)c1.
What is the InChIKey of 3-hydroxy-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
The InChIKey is HLLKCGQPNWBZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO5S/c30-23-7-2-4-18(16-23)19-10-12-26-20(14-19)11-13-27(32)28(26)21-5-1-6-22(15-21)29-35(33,34)25-9-3-8-24(31)17-25/h1-17,29-32H.
What are the key properties of 3-hydroxy-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide?
3-hydroxy-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide has a molecular weight of 483.55 g/mol, XLogP of 6.09, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 57384263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).