[1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride

C14H18BrClO3S — CID 107286836

IUPAC[1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride
SMILESCc1ccc(Br)cc1OCC1(CS(=O)(=O)Cl)CCCC1
InChIInChI=1S/C14H18BrClO3S/c1-11-4-5-12(15)8-13(11)19-9-14(6-2-3-7-14)10-20(16,17)18/h4-5,8H,2-3,6-7,9-10H2,1H3
InChIKeyZBLDHSCQNALAAU-UHFFFAOYSA-N
MW381.72 g/mol
LogP4.27
Rot. Bonds5

About [1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride

[1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride (PubChem CID 107286836) has the molecular formula C14H18BrClO3S and a molecular weight of 381.72 g/mol. Its IUPAC name is [1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride
PubChem CID107286836
Molecular FormulaC14H18BrClO3S
Molecular Weight381.72 g/mol
Exact Mass379.98
IUPAC Name[1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride
SMILESCc1ccc(Br)cc1OCC1(CS(=O)(=O)Cl)CCCC1
InChIInChI=1S/C14H18BrClO3S/c1-11-4-5-12(15)8-13(11)19-9-14(6-2-3-7-14)10-20(16,17)18/h4-5,8H,2-3,6-7,9-10H2,1H3
InChIKeyZBLDHSCQNALAAU-UHFFFAOYSA-N
XLogP4.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.72
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2,4-dimethylphenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65006888
[1-[(4-bromophenyl)methoxymethyl]cyclopentyl]methanesulfonyl chloride
CID 82827480
[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65007281
[1-[(3-methylphenoxy)methyl]cycloheptyl]methanesulfonyl chloride
CID 65009941
[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
2-[1-[(5-bromo-2-methylphenoxy)methyl]cyclopropyl]ethanethioamide
CID 107283905
[1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006703
[1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65002646
[1-[(2-chloro-5-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002656
1-[(5-bromo-2-chlorophenoxy)methyl]-1-(bromomethyl)cycloheptane
CID 65010650
[4-[(2-chloro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonyl chloride
CID 65004623
2-[(5-bromo-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 107284220

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
The IUPAC name of [1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride (CID 107286836) is [1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride.
What is the SMILES notation for [1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
The canonical SMILES for [1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride is Cc1ccc(Br)cc1OCC1(CS(=O)(=O)Cl)CCCC1.
What is the InChIKey of [1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
The InChIKey is ZBLDHSCQNALAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO3S/c1-11-4-5-12(15)8-13(11)19-9-14(6-2-3-7-14)10-20(16,17)18/h4-5,8H,2-3,6-7,9-10H2,1H3.
What are the key properties of [1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride?
[1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride has a molecular weight of 381.72 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-methylphenoxy)methyl]cyclopentyl]methanesulfonyl chloride is sourced from PubChem (CID 107286836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).