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

C16H12FNO3S — CID 746367

IUPAC4-fluoro-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO3S/c17-11-5-7-12(8-6-11)22(20,21)18-15-9-10-16(19)14-4-2-1-3-13(14)15/h1-10,18-19H
InChIKeyYSGRDPNYGMQUTB-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.49
Rot. Bonds3

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

4-fluoro-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide (PubChem CID 746367) has the molecular formula C16H12FNO3S and a molecular weight of 317.34 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
PubChem CID746367
Molecular FormulaC16H12FNO3S
Molecular Weight317.34 g/mol
Exact Mass317.05
IUPAC Name4-fluoro-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO3S/c17-11-5-7-12(8-6-11)22(20,21)18-15-9-10-16(19)14-4-2-1-3-13(14)15/h1-10,18-19H
InChIKeyYSGRDPNYGMQUTB-UHFFFAOYSA-N
XLogP3.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.49
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 4-fluoro-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide (CID 746367) is 4-fluoro-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
The InChIKey is YSGRDPNYGMQUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3S/c17-11-5-7-12(8-6-11)22(20,21)18-15-9-10-16(19)14-4-2-1-3-13(14)15/h1-10,18-19H.
What are the key properties of 4-fluoro-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide?
4-fluoro-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide has a molecular weight of 317.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-hydroxynaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 746367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).