[1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride

C14H18BrClO3S — CID 82827480

IUPAC[1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COCc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C14H18BrClO3S/c15-13-5-3-12(4-6-13)9-19-10-14(7-1-2-8-14)11-20(16,17)18/h3-6H,1-2,7-11H2
InChIKeyWFRZSAYCWUUXOU-UHFFFAOYSA-N
MW381.72 g/mol
LogP4.09
Rot. Bonds6

About [1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride

[1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride (PubChem CID 82827480) has the molecular formula C14H18BrClO3S and a molecular weight of 381.72 g/mol. Its IUPAC name is [1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
PubChem CID82827480
Molecular FormulaC14H18BrClO3S
Molecular Weight381.72 g/mol
Exact Mass379.98
IUPAC Name[1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COCc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C14H18BrClO3S/c15-13-5-3-12(4-6-13)9-19-10-14(7-1-2-8-14)11-20(16,17)18/h3-6H,1-2,7-11H2
InChIKeyWFRZSAYCWUUXOU-UHFFFAOYSA-N
XLogP4.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.72
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride?
The IUPAC name of [1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride (CID 82827480) is [1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride.
What is the SMILES notation for [1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride?
The canonical SMILES for [1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(COCc2ccc(Br)cc2)CCCC1.
What is the InChIKey of [1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride?
The InChIKey is WFRZSAYCWUUXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO3S/c15-13-5-3-12(4-6-13)9-19-10-14(7-1-2-8-14)11-20(16,17)18/h3-6H,1-2,7-11H2.
What are the key properties of [1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride?
[1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride has a molecular weight of 381.72 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride is sourced from PubChem (CID 82827480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).