1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide

C22H18FNO3S — CID 166326546

IUPAC1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc2ccccc2c1F
InChIInChI=1S/C22H18FNO3S/c23-22-18-10-4-2-7-16(18)12-13-21(22)28(26,27)24-14-20(25)19-11-5-8-15-6-1-3-9-17(15)19/h1-13,20,24-25H,14H2
InChIKeyFOEIBGXGVUEMPF-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.14
Rot. Bonds5

About 1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide

1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide (PubChem CID 166326546) has the molecular formula C22H18FNO3S and a molecular weight of 395.45 g/mol. Its IUPAC name is 1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide
PubChem CID166326546
Molecular FormulaC22H18FNO3S
Molecular Weight395.45 g/mol
Exact Mass395.10
IUPAC Name1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc2ccccc2c1F
InChIInChI=1S/C22H18FNO3S/c23-22-18-10-4-2-7-16(18)12-13-21(22)28(26,27)24-14-20(25)19-11-5-8-15-6-1-3-9-17(15)19/h1-13,20,24-25H,14H2
InChIKeyFOEIBGXGVUEMPF-UHFFFAOYSA-N
XLogP4.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide?
The IUPAC name of 1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide (CID 166326546) is 1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for 1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide?
The canonical SMILES for 1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide is O=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc2ccccc2c1F.
What is the InChIKey of 1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide?
The InChIKey is FOEIBGXGVUEMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3S/c23-22-18-10-4-2-7-16(18)12-13-21(22)28(26,27)24-14-20(25)19-11-5-8-15-6-1-3-9-17(15)19/h1-13,20,24-25H,14H2.
What are the key properties of 1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide?
1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide has a molecular weight of 395.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 166326546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).