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

C16H13NO3S — CID 694880

IUPACN-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c2ccccc12)c1ccccc1
InChIInChI=1S/C16H13NO3S/c18-16-11-10-15(13-8-4-5-9-14(13)16)17-21(19,20)12-6-2-1-3-7-12/h1-11,17-18H
InChIKeyAJVUJXJDOGXUDS-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.35
Rot. Bonds3

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

N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide (PubChem CID 694880) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
PubChem CID694880
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC NameN-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c2ccccc12)c1ccccc1
InChIInChI=1S/C16H13NO3S/c18-16-11-10-15(13-8-4-5-9-14(13)16)17-21(19,20)12-6-2-1-3-7-12/h1-11,17-18H
InChIKeyAJVUJXJDOGXUDS-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)benzenesulfonamide?
The IUPAC name of N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide (CID 694880) is N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccccc1.
What is the InChIKey of N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
The InChIKey is AJVUJXJDOGXUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c18-16-11-10-15(13-8-4-5-9-14(13)16)17-21(19,20)12-6-2-1-3-7-12/h1-11,17-18H.
What are the key properties of N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide has a molecular weight of 299.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 694880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).