5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride

C11H12Cl2O3S — CID 65459396

IUPAC5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C11H12Cl2O3S/c12-9-4-5-10(11(6-9)17(13,14)15)16-7-8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyOJWGNSIOXMZWRC-UHFFFAOYSA-N
MW295.19 g/mol
LogP3.45
Rot. Bonds4

About 5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride

5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride (PubChem CID 65459396) has the molecular formula C11H12Cl2O3S and a molecular weight of 295.19 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride
PubChem CID65459396
Molecular FormulaC11H12Cl2O3S
Molecular Weight295.19 g/mol
Exact Mass293.99
IUPAC Name5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C11H12Cl2O3S/c12-9-4-5-10(11(6-9)17(13,14)15)16-7-8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKeyOJWGNSIOXMZWRC-UHFFFAOYSA-N
XLogP3.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride (CID 65459396) is 5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)ccc1OCC1CCC1.
What is the InChIKey of 5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride?
The InChIKey is OJWGNSIOXMZWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3S/c12-9-4-5-10(11(6-9)17(13,14)15)16-7-8-2-1-3-8/h4-6,8H,1-3,7H2.
What are the key properties of 5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride?
5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride has a molecular weight of 295.19 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 65459396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).