2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride

C13H15Cl3O3S — CID 43134405

IUPAC2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCC2CCCCC2)c(Cl)c1Cl
InChIInChI=1S/C13H15Cl3O3S/c14-12-10(19-8-9-4-2-1-3-5-9)6-7-11(13(12)15)20(16,17)18/h6-7,9H,1-5,8H2
InChIKeyJPSHQIDDDJSZTN-UHFFFAOYSA-N
MW357.69 g/mol
LogP4.88
Rot. Bonds4

About 2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride

2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride (PubChem CID 43134405) has the molecular formula C13H15Cl3O3S and a molecular weight of 357.69 g/mol. Its IUPAC name is 2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride
PubChem CID43134405
Molecular FormulaC13H15Cl3O3S
Molecular Weight357.69 g/mol
Exact Mass355.98
IUPAC Name2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCC2CCCCC2)c(Cl)c1Cl
InChIInChI=1S/C13H15Cl3O3S/c14-12-10(19-8-9-4-2-1-3-5-9)6-7-11(13(12)15)20(16,17)18/h6-7,9H,1-5,8H2
InChIKeyJPSHQIDDDJSZTN-UHFFFAOYSA-N
XLogP4.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.69
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride
CID 43247030
2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride
CID 65458261
3-chlorosulfonyl-4-(cyclobutylmethoxy)benzoic acid
CID 65458945
2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride
CID 60922522
4-(cyclopentylmethoxy)benzenesulfonyl chloride
CID 61343179
2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide
CID 43342542
4-(2,3-dichloro-4-chlorosulfonylphenoxy)butanoic acid
CID 43247032
2,3-dichloro-4-(4-methylpentoxy)benzenesulfonyl chloride
CID 83157190
2,3-dichloro-4-(2-methylidenebutoxy)benzenesulfonyl chloride
CID 82910055
cyclopentylmethyl 2,5-dichloro-3-chlorosulfonylbenzoate
CID 66324019
2-chloro-3-(cyclohexylmethoxy)-6-iodopyridine
CID 156612379
4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
CID 43164449

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride (CID 43134405) is 2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OCC2CCCCC2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride?
The InChIKey is JPSHQIDDDJSZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3O3S/c14-12-10(19-8-9-4-2-1-3-5-9)6-7-11(13(12)15)20(16,17)18/h6-7,9H,1-5,8H2.
What are the key properties of 2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride?
2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride has a molecular weight of 357.69 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 43134405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).