[1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride

C15H21ClO4S — CID 65003231

IUPAC[1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COCCOc2ccccc2)CCCC1
InChIInChI=1S/C15H21ClO4S/c16-21(17,18)13-15(8-4-5-9-15)12-19-10-11-20-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2
InChIKeyHRZYSADPWANFDN-UHFFFAOYSA-N
MW332.85 g/mol
LogP3.21
Rot. Bonds8

About [1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride

[1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride (PubChem CID 65003231) has the molecular formula C15H21ClO4S and a molecular weight of 332.85 g/mol. Its IUPAC name is [1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride
PubChem CID65003231
Molecular FormulaC15H21ClO4S
Molecular Weight332.85 g/mol
Exact Mass332.08
IUPAC Name[1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COCCOc2ccccc2)CCCC1
InChIInChI=1S/C15H21ClO4S/c16-21(17,18)13-15(8-4-5-9-15)12-19-10-11-20-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2
InChIKeyHRZYSADPWANFDN-UHFFFAOYSA-N
XLogP3.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride?
The IUPAC name of [1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride (CID 65003231) is [1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride?
The canonical SMILES for [1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(COCCOc2ccccc2)CCCC1.
What is the InChIKey of [1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride?
The InChIKey is HRZYSADPWANFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO4S/c16-21(17,18)13-15(8-4-5-9-15)12-19-10-11-20-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2.
What are the key properties of [1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride?
[1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride has a molecular weight of 332.85 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenoxyethoxymethyl)cyclopentyl]methanesulfonyl chloride is sourced from PubChem (CID 65003231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).