4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride

C18H14ClFO3S — CID 22504018

IUPAC4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)cc1OCCc1cccc2ccccc12
InChIInChI=1S/C18H14ClFO3S/c19-24(21,22)18-9-8-15(20)12-17(18)23-11-10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,12H,10-11H2
InChIKeyBCWXFRIVSFLAQJ-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.53
Rot. Bonds5

About 4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride

4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride (PubChem CID 22504018) has the molecular formula C18H14ClFO3S and a molecular weight of 364.83 g/mol. Its IUPAC name is 4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride
PubChem CID22504018
Molecular FormulaC18H14ClFO3S
Molecular Weight364.83 g/mol
Exact Mass364.03
IUPAC Name4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)cc1OCCc1cccc2ccccc12
InChIInChI=1S/C18H14ClFO3S/c19-24(21,22)18-9-8-15(20)12-17(18)23-11-10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,12H,10-11H2
InChIKeyBCWXFRIVSFLAQJ-UHFFFAOYSA-N
XLogP4.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride?
The IUPAC name of 4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride (CID 22504018) is 4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(F)cc1OCCc1cccc2ccccc12.
What is the InChIKey of 4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride?
The InChIKey is BCWXFRIVSFLAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFO3S/c19-24(21,22)18-9-8-15(20)12-17(18)23-11-10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,12H,10-11H2.
What are the key properties of 4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride?
4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride has a molecular weight of 364.83 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-naphthalen-1-ylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 22504018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).