[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride

C13H16ClFO3S — CID 98663701

IUPAC[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride
SMILESCOc1ccc(C2(CS(=O)(=O)Cl)CCCC2)cc1F
InChIInChI=1S/C13H16ClFO3S/c1-18-12-5-4-10(8-11(12)15)13(6-2-3-7-13)9-19(14,16)17/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyXVGAUSLEOMYXJC-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.21
Rot. Bonds4

About [1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride

[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride (PubChem CID 98663701) has the molecular formula C13H16ClFO3S and a molecular weight of 306.79 g/mol. Its IUPAC name is [1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride
PubChem CID98663701
Molecular FormulaC13H16ClFO3S
Molecular Weight306.79 g/mol
Exact Mass306.05
IUPAC Name[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride
SMILESCOc1ccc(C2(CS(=O)(=O)Cl)CCCC2)cc1F
InChIInChI=1S/C13H16ClFO3S/c1-18-12-5-4-10(8-11(12)15)13(6-2-3-7-13)9-19(14,16)17/h4-5,8H,2-3,6-7,9H2,1H3
InChIKeyXVGAUSLEOMYXJC-UHFFFAOYSA-N
XLogP3.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
CID 82087894
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
2-fluoro-4-[1-(isocyanatomethyl)cyclopentyl]-1-methoxybenzene
CID 82087098
1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine
CID 83688403
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467
4-[1-(chloromethyl)cyclohexyl]-2-ethyl-1-methoxybenzene
CID 82092119
[1-[(2,4-difluorophenoxy)methyl]cyclohexyl]methanesulfonyl chloride
CID 65007281
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 142504266
1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
CID 82283649
4-[1-(chloromethyl)cyclopentyl]-1-methoxy-2-methylbenzene
CID 82084196
4-(1-ethylcyclopentyl)-1-methoxy-2-methylbenzene
CID 143033175

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride?
The IUPAC name of [1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride (CID 98663701) is [1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride?
The canonical SMILES for [1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride is COc1ccc(C2(CS(=O)(=O)Cl)CCCC2)cc1F.
What is the InChIKey of [1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride?
The InChIKey is XVGAUSLEOMYXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO3S/c1-18-12-5-4-10(8-11(12)15)13(6-2-3-7-13)9-19(14,16)17/h4-5,8H,2-3,6-7,9H2,1H3.
What are the key properties of [1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride?
[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride has a molecular weight of 306.79 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride is sourced from PubChem (CID 98663701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).