N-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide

C27H21NO5S — CID 90467177

IUPACN-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3cccc4cc(O)ccc34)c(O)c3ccccc23)cc1
InChIInChI=1S/C27H21NO5S/c1-33-19-10-12-20(13-11-19)34(31,32)28-26-16-25(27(30)24-7-3-2-6-23(24)26)22-8-4-5-17-15-18(29)9-14-21(17)22/h2-16,28-30H,1H3
InChIKeyNZKCXRYVEGKTLZ-UHFFFAOYSA-N
MW471.53 g/mol
LogP5.88
Rot. Bonds5

About N-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide

N-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide (PubChem CID 90467177) has the molecular formula C27H21NO5S and a molecular weight of 471.53 g/mol. Its IUPAC name is N-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide
PubChem CID90467177
Molecular FormulaC27H21NO5S
Molecular Weight471.53 g/mol
Exact Mass471.11
IUPAC NameN-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(-c3cccc4cc(O)ccc34)c(O)c3ccccc23)cc1
InChIInChI=1S/C27H21NO5S/c1-33-19-10-12-20(13-11-19)34(31,32)28-26-16-25(27(30)24-7-3-2-6-23(24)26)22-8-4-5-17-15-18(29)9-14-21(17)22/h2-16,28-30H,1H3
InChIKeyNZKCXRYVEGKTLZ-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
5-ethyl-N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)thiophene-2-sulfonamide
CID 143906908
N-(4-hydroxy-3-naphthalen-1-ylnaphthalen-1-yl)prop-1-ene-2-sulfonamide
CID 143906941
N-[1-hydroxy-4-[(4-methoxyphenyl)sulfonylamino]naphthalen-2-yl]imino-4-methoxybenzamide
CID 3487122
5-(4-methoxyphenyl)naphthalen-2-ol
CID 142144023
N-(5-hydroxy-2-methoxyphenyl)naphthalene-2-sulfonamide
CID 70792470
[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-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 58565507
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404
4-acetyl-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]benzenesulfonamide
CID 58565479
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-[2-[2-(1-hydroxyethyl)phenyl]phenyl]-4-methoxybenzenesulfonamide
CID 69255044

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide (CID 90467177) is N-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(-c3cccc4cc(O)ccc34)c(O)c3ccccc23)cc1.
What is the InChIKey of N-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide?
The InChIKey is NZKCXRYVEGKTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO5S/c1-33-19-10-12-20(13-11-19)34(31,32)28-26-16-25(27(30)24-7-3-2-6-23(24)26)22-8-4-5-17-15-18(29)9-14-21(17)22/h2-16,28-30H,1H3.
What are the key properties of N-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide?
N-[4-hydroxy-3-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-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-(6-hydroxynaphthalen-1-yl)naphthalen-1-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 90467177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).