[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride

C14H19ClO4S — CID 65002637

IUPAC[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride
SMILESCOc1ccc(OCC2(CS(=O)(=O)Cl)CCCC2)cc1
InChIInChI=1S/C14H19ClO4S/c1-18-12-4-6-13(7-5-12)19-10-14(8-2-3-9-14)11-20(15,16)17/h4-7H,2-3,8-11H2,1H3
InChIKeyOFSLNZWRLNLWHQ-UHFFFAOYSA-N
MW318.82 g/mol
LogP3.20
Rot. Bonds6

About [1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride

[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride (PubChem CID 65002637) has the molecular formula C14H19ClO4S and a molecular weight of 318.82 g/mol. Its IUPAC name is [1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride
PubChem CID65002637
Molecular FormulaC14H19ClO4S
Molecular Weight318.82 g/mol
Exact Mass318.07
IUPAC Name[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride
SMILESCOc1ccc(OCC2(CS(=O)(=O)Cl)CCCC2)cc1
InChIInChI=1S/C14H19ClO4S/c1-18-12-4-6-13(7-5-12)19-10-14(8-2-3-9-14)11-20(15,16)17/h4-7H,2-3,8-11H2,1H3
InChIKeyOFSLNZWRLNLWHQ-UHFFFAOYSA-N
XLogP3.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-fluorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65001575
[1-[(4-methoxyphenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
CID 65003088
[1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65002646
[4-[(4-methylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004721
[1-[(3-methylphenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65009941
[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanamine
CID 94686563
[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
[1-[(3-fluorophenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65010038
[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002799
[1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003231
[1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine
CID 84686797
[1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65006888

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
The IUPAC name of [1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride (CID 65002637) is [1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride.
What is the SMILES notation for [1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
The canonical SMILES for [1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride is COc1ccc(OCC2(CS(=O)(=O)Cl)CCCC2)cc1.
What is the InChIKey of [1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
The InChIKey is OFSLNZWRLNLWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO4S/c1-18-12-4-6-13(7-5-12)19-10-14(8-2-3-9-14)11-20(15,16)17/h4-7H,2-3,8-11H2,1H3.
What are the key properties of [1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride has a molecular weight of 318.82 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanesulfonyl chloride is sourced from PubChem (CID 65002637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).