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

C27H21NO5S — CID 58565581

IUPACN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12
InChIInChI=1S/C27H21NO5S/c1-33-24-12-6-7-13-25(24)34(31,32)28-22-16-21(27(30)20-11-5-4-10-19(20)22)26-18-9-3-2-8-17(18)14-15-23(26)29/h2-16,28-30H,1H3
InChIKeyCLCPEIYBGWYHJY-UHFFFAOYSA-N
MW471.53 g/mol
LogP5.88
Rot. Bonds5

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

N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide (PubChem CID 58565581) has the molecular formula C27H21NO5S and a molecular weight of 471.53 g/mol. Its IUPAC name is N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide
PubChem CID58565581
Molecular FormulaC27H21NO5S
Molecular Weight471.53 g/mol
Exact Mass471.11
IUPAC NameN-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12
InChIInChI=1S/C27H21NO5S/c1-33-24-12-6-7-13-25(24)34(31,32)28-22-16-21(27(30)20-11-5-4-10-19(20)22)26-18-9-3-2-8-17(18)14-15-23(26)29/h2-16,28-30H,1H3
InChIKeyCLCPEIYBGWYHJY-UHFFFAOYSA-N
XLogP5.88
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 55.88
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'}

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Related Compounds

N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide;methane
CID 159867718
4-acetyl-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 58565479
4-chloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 2269846
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 58565507
1-benzyl-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 58565573
2-(1,3-dioxoisoindol-2-yl)-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethanesulfonamide
CID 58565717
ethane;1-(2-hydroxy-3-methoxyphenyl)naphthalen-2-ol
CID 144695247
[1-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]naphthalen-2-yl] N-methyl-N-[3-(methylamino)propyl]carbamate
CID 170629988
N-(3-chloro-4-hydroxynaphthalen-1-yl)-2,5-dimethoxybenzenesulfonamide
CID 58565637
N-(2-fluoro-3-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 138995627
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]-4-methoxybenzenesulfonamide
CID 1324609
[2-(2-hydroxynaphthalen-1-yl)-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]methyl-[3-(methylamino)propyl]carbamic acid;hydrochloride
CID 176887915

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide (CID 58565581) is N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12.
What is the InChIKey of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide?
The InChIKey is CLCPEIYBGWYHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO5S/c1-33-24-12-6-7-13-25(24)34(31,32)28-22-16-21(27(30)20-11-5-4-10-19(20)22)26-18-9-3-2-8-17(18)14-15-23(26)29/h2-16,28-30H,1H3.
What are the key properties of N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide?
N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-2-methoxybenzenesulfonamide has a molecular weight of 471.53 g/mol, XLogP of 5.88, 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]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 58565581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).