4-(3-chlorophenoxy)benzenesulfonyl fluoride

C12H8ClFO3S — CID 165459698

IUPAC4-(3-chlorophenoxy)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C12H8ClFO3S/c13-9-2-1-3-11(8-9)17-10-4-6-12(7-5-10)18(14,15)16/h1-8H
InChIKeyNXBAJGUBNWHETI-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.79
Rot. Bonds3

About 4-(3-chlorophenoxy)benzenesulfonyl fluoride

4-(3-chlorophenoxy)benzenesulfonyl fluoride (PubChem CID 165459698) has the molecular formula C12H8ClFO3S and a molecular weight of 286.71 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(3-chlorophenoxy)benzenesulfonyl fluoride
PubChem CID165459698
Molecular FormulaC12H8ClFO3S
Molecular Weight286.71 g/mol
Exact Mass285.99
IUPAC Name4-(3-chlorophenoxy)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C12H8ClFO3S/c13-9-2-1-3-11(8-9)17-10-4-6-12(7-5-10)18(14,15)16/h1-8H
InChIKeyNXBAJGUBNWHETI-UHFFFAOYSA-N
XLogP3.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-(4-nitrophenoxy)benzene
CID 16815
2-amino-4-(3-chlorophenoxy)benzenesulfonamide
CID 79467084
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
[4-(3-chlorophenoxy)phenyl]-(4-hydroxyphenyl)methanone
CID 19806495
(3-chlorophenyl) hydrogen sulfate
CID 69041197
1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
CID 51191187
4-(3-methoxyphenoxy)benzenesulfonyl chloride
CID 18071781
2-[4-(3-chlorophenoxy)phenoxy]ethanamine
CID 19881384
4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966272
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
1-(3-bromopropoxy)-4-(3-chlorophenoxy)benzene
CID 139615693
(3-chlorophenyl) benzenesulfonate
CID 21122232

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)benzenesulfonyl fluoride?
The IUPAC name of 4-(3-chlorophenoxy)benzenesulfonyl fluoride (CID 165459698) is 4-(3-chlorophenoxy)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(3-chlorophenoxy)benzenesulfonyl fluoride?
The canonical SMILES for 4-(3-chlorophenoxy)benzenesulfonyl fluoride is O=S(=O)(F)c1ccc(Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 4-(3-chlorophenoxy)benzenesulfonyl fluoride?
The InChIKey is NXBAJGUBNWHETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO3S/c13-9-2-1-3-11(8-9)17-10-4-6-12(7-5-10)18(14,15)16/h1-8H.
What are the key properties of 4-(3-chlorophenoxy)benzenesulfonyl fluoride?
4-(3-chlorophenoxy)benzenesulfonyl fluoride has a molecular weight of 286.71 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)benzenesulfonyl fluoride is sourced from PubChem (CID 165459698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).