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

C27H18F3NO5S — CID 58565507

IUPACN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C27H18F3NO5S/c28-27(29,30)36-17-10-12-18(13-11-17)37(34,35)31-23-15-22(26(33)21-8-4-3-7-20(21)23)25-19-6-2-1-5-16(19)9-14-24(25)32/h1-15,31-33H
InChIKeyNPISNMFJODIAMJ-UHFFFAOYSA-N
MW525.50 g/mol
LogP6.77
Rot. Bonds5

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

N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 58565507) has the molecular formula C27H18F3NO5S and a molecular weight of 525.50 g/mol. Its IUPAC name is N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID58565507
Molecular FormulaC27H18F3NO5S
Molecular Weight525.50 g/mol
Exact Mass525.09
IUPAC NameN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C27H18F3NO5S/c28-27(29,30)36-17-10-12-18(13-11-17)37(34,35)31-23-15-22(26(33)21-8-4-3-7-20(21)23)25-19-6-2-1-5-16(19)9-14-24(25)32/h1-15,31-33H
InChIKeyNPISNMFJODIAMJ-UHFFFAOYSA-N
XLogP6.77
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.50
LogP ≤ 56.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide;methane
CID 159867718
4-chloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 2269846
4-acetyl-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 58565479
N-(3-chloro-4-hydroxynaphthalen-1-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 58565471
N-[4-hydroxy-3-(2-hydroxyprop-2-enylsulfanyl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122674267
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide
CID 58565581
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]-4-methoxybenzenesulfonamide
CID 1324609
N-(5-fluoro-2-hydroxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 169422831
[2-(2-hydroxynaphthalen-1-yl)-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]methyl-[3-(methylamino)propyl]carbamic acid;hydrochloride
CID 176887915
[1-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]naphthalen-2-yl] N-methyl-N-[3-(methylamino)propyl]carbamate
CID 170629988
N-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide
CID 90467177
2-(1,3-dioxoisoindol-2-yl)-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethanesulfonamide
CID 58565717

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide (CID 58565507) is N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is NPISNMFJODIAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3NO5S/c28-27(29,30)36-17-10-12-18(13-11-17)37(34,35)31-23-15-22(26(33)21-8-4-3-7-20(21)23)25-19-6-2-1-5-16(19)9-14-24(25)32/h1-15,31-33H.
What are the key properties of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 525.50 g/mol, XLogP of 6.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 58565507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).