3-chloro-4-cyclohexyloxybenzenesulfonyl chloride

C12H14Cl2O3S — CID 43106454

IUPAC3-chloro-4-cyclohexyloxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H14Cl2O3S/c13-11-8-10(18(14,15)16)6-7-12(11)17-9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyPZXXAKOQXBKEHR-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.98
Rot. Bonds3

About 3-chloro-4-cyclohexyloxybenzenesulfonyl chloride

3-chloro-4-cyclohexyloxybenzenesulfonyl chloride (PubChem CID 43106454) has the molecular formula C12H14Cl2O3S and a molecular weight of 309.21 g/mol. Its IUPAC name is 3-chloro-4-cyclohexyloxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-cyclohexyloxybenzenesulfonyl chloride
PubChem CID43106454
Molecular FormulaC12H14Cl2O3S
Molecular Weight309.21 g/mol
Exact Mass308.00
IUPAC Name3-chloro-4-cyclohexyloxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H14Cl2O3S/c13-11-8-10(18(14,15)16)6-7-12(11)17-9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyPZXXAKOQXBKEHR-UHFFFAOYSA-N
XLogP3.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.98
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 chloride?
The IUPAC name of 3-chloro-4-cyclohexyloxybenzenesulfonyl chloride (CID 43106454) is 3-chloro-4-cyclohexyloxybenzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-cyclohexyloxybenzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-cyclohexyloxybenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OC2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-cyclohexyloxybenzenesulfonyl chloride?
The InChIKey is PZXXAKOQXBKEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O3S/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 chloride?
3-chloro-4-cyclohexyloxybenzenesulfonyl chloride has a molecular weight of 309.21 g/mol, XLogP of 3.98, 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 chloride is sourced from PubChem (CID 43106454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).