[1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride

C13H15Cl3O3S — CID 65002646

IUPAC[1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COc2ccc(Cl)c(Cl)c2)CCCC1
InChIInChI=1S/C13H15Cl3O3S/c14-11-4-3-10(7-12(11)15)19-8-13(5-1-2-6-13)9-20(16,17)18/h3-4,7H,1-2,5-6,8-9H2
InChIKeyZDBNYQSXLZZWBK-UHFFFAOYSA-N
MW357.69 g/mol
LogP4.50
Rot. Bonds5

About [1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride

[1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride (PubChem CID 65002646) has the molecular formula C13H15Cl3O3S and a molecular weight of 357.69 g/mol. Its IUPAC name is [1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
PubChem CID65002646
Molecular FormulaC13H15Cl3O3S
Molecular Weight357.69 g/mol
Exact Mass355.98
IUPAC Name[1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COc2ccc(Cl)c(Cl)c2)CCCC1
InChIInChI=1S/C13H15Cl3O3S/c14-11-4-3-10(7-12(11)15)19-8-13(5-1-2-6-13)9-20(16,17)18/h3-4,7H,1-2,5-6,8-9H2
InChIKeyZDBNYQSXLZZWBK-UHFFFAOYSA-N
XLogP4.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.69
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65002637
[1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65001575
4-[[1-(bromomethyl)cyclohexyl]methoxy]-1,2-dichlorobenzene
CID 65001796
[1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65010038
[1-[(3-methylphenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65009941
[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003191
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 82727324
[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002799
[4-[(4-methylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004721
4-[[1-(bromomethyl)cyclobutyl]methoxy]-1-chloro-2-ethylbenzene
CID 65007584
[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65007281
[1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65006888

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
The IUPAC name of [1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride (CID 65002646) is [1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride.
What is the SMILES notation for [1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
The canonical SMILES for [1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(COc2ccc(Cl)c(Cl)c2)CCCC1.
What is the InChIKey of [1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
The InChIKey is ZDBNYQSXLZZWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3O3S/c14-11-4-3-10(7-12(11)15)19-8-13(5-1-2-6-13)9-20(16,17)18/h3-4,7H,1-2,5-6,8-9H2.
What are the key properties of [1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
[1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride has a molecular weight of 357.69 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride is sourced from PubChem (CID 65002646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).