N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide

C26H19NO4S — CID 4178624

IUPACN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12)c1ccccc1
InChIInChI=1S/C26H19NO4S/c28-24-15-14-17-8-4-5-11-19(17)25(24)22-16-23(20-12-6-7-13-21(20)26(22)29)27-32(30,31)18-9-2-1-3-10-18/h1-16,27-29H
InChIKeyJLHQSSKCNONIFX-UHFFFAOYSA-N
MW441.51 g/mol
LogP5.87
Rot. Bonds4

About N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide

N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide (PubChem CID 4178624) has the molecular formula C26H19NO4S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
PubChem CID4178624
Molecular FormulaC26H19NO4S
Molecular Weight441.51 g/mol
Exact Mass441.10
IUPAC NameN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12)c1ccccc1
InChIInChI=1S/C26H19NO4S/c28-24-15-14-17-8-4-5-11-19(17)25(24)22-16-23(20-12-6-7-13-21(20)26(22)29)27-32(30,31)18-9-2-1-3-10-18/h1-16,27-29H
InChIKeyJLHQSSKCNONIFX-UHFFFAOYSA-N
XLogP5.87
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide?
The IUPAC name of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide (CID 4178624) is N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide?
The InChIKey is JLHQSSKCNONIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO4S/c28-24-15-14-17-8-4-5-11-19(17)25(24)22-16-23(20-12-6-7-13-21(20)26(22)29)27-32(30,31)18-9-2-1-3-10-18/h1-16,27-29H.
What are the key properties of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide?
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide has a molecular weight of 441.51 g/mol, XLogP of 5.87, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 4178624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).