N-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide

C17H15NO4S — CID 871185

IUPACN-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1
InChIInChI=1S/C17H15NO4S/c1-22-12-6-8-13(9-7-12)23(20,21)18-16-10-11-17(19)15-5-3-2-4-14(15)16/h2-11,18-19H,1H3
InChIKeyBUESECBBBYRGKQ-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.35
Rot. Bonds4

About N-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide

N-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide (PubChem CID 871185) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide
PubChem CID871185
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC NameN-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1
InChIInChI=1S/C17H15NO4S/c1-22-12-6-8-13(9-7-12)23(20,21)18-16-10-11-17(19)15-5-3-2-4-14(15)16/h2-11,18-19H,1H3
InChIKeyBUESECBBBYRGKQ-UHFFFAOYSA-N
XLogP3.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
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-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide (CID 871185) is N-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1.
What is the InChIKey of N-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide?
The InChIKey is BUESECBBBYRGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-22-12-6-8-13(9-7-12)23(20,21)18-16-10-11-17(19)15-5-3-2-4-14(15)16/h2-11,18-19H,1H3.
What are the key properties of N-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide?
N-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxynaphthalen-1-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 871185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).