2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide

C18H16FNO3S — CID 56764138

IUPAC2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccccc1F
InChIInChI=1S/C18H16FNO3S/c19-16-10-3-4-11-18(16)24(22,23)20-12-17(21)15-9-5-7-13-6-1-2-8-14(13)15/h1-11,17,20-21H,12H2
InChIKeyCGZZWDBHJRTXFY-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.99
Rot. Bonds5

About 2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide

2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide (PubChem CID 56764138) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
PubChem CID56764138
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC Name2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccccc1F
InChIInChI=1S/C18H16FNO3S/c19-16-10-3-4-11-18(16)24(22,23)20-12-17(21)15-9-5-7-13-6-1-2-8-14(13)15/h1-11,17,20-21H,12H2
InChIKeyCGZZWDBHJRTXFY-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide (CID 56764138) is 2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide is O=S(=O)(NCC(O)c1cccc2ccccc12)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
The InChIKey is CGZZWDBHJRTXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c19-16-10-3-4-11-18(16)24(22,23)20-12-17(21)15-9-5-7-13-6-1-2-8-14(13)15/h1-11,17,20-21H,12H2.
What are the key properties of 2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide?
2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide has a molecular weight of 345.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 56764138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).