3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride

C12H14ClFO3S — CID 165461386

IUPAC3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(OC2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H14ClFO3S/c13-11-8-10(18(14,15)16)6-7-12(11)17-9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyOMRHIXDISDEESM-UHFFFAOYSA-N
MW292.76 g/mol
LogP3.71
Rot. Bonds3

About 3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride

3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride (PubChem CID 165461386) has the molecular formula C12H14ClFO3S and a molecular weight of 292.76 g/mol. Its IUPAC name is 3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride.

Molecular Properties

Compound Name3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride
PubChem CID165461386
Molecular FormulaC12H14ClFO3S
Molecular Weight292.76 g/mol
Exact Mass292.03
IUPAC Name3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(OC2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H14ClFO3S/c13-11-8-10(18(14,15)16)6-7-12(11)17-9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyOMRHIXDISDEESM-UHFFFAOYSA-N
XLogP3.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride?
The IUPAC name of 3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride (CID 165461386) is 3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride.
What is the SMILES notation for 3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride?
The canonical SMILES for 3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride is O=S(=O)(F)c1ccc(OC2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride?
The InChIKey is OMRHIXDISDEESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO3S/c13-11-8-10(18(14,15)16)6-7-12(11)17-9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of 3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride?
3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride has a molecular weight of 292.76 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride is sourced from PubChem (CID 165461386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).