[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide

C13H17ClFNO3S — CID 82727324

IUPAC[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COc2ccc(Cl)c(F)c2)CCCC1
InChIInChI=1S/C13H17ClFNO3S/c14-11-4-3-10(7-12(11)15)19-8-13(5-1-2-6-13)9-20(16,17)18/h3-4,7H,1-2,5-6,8-9H2,(H2,16,17,18)
InChIKeyGLOOAZNYSFUKQV-UHFFFAOYSA-N
MW321.80 g/mol
LogP2.71
Rot. Bonds5

About [1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide

[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide (PubChem CID 82727324) has the molecular formula C13H17ClFNO3S and a molecular weight of 321.80 g/mol. Its IUPAC name is [1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide
PubChem CID82727324
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COc2ccc(Cl)c(F)c2)CCCC1
InChIInChI=1S/C13H17ClFNO3S/c14-11-4-3-10(7-12(11)15)19-8-13(5-1-2-6-13)9-20(16,17)18/h3-4,7H,1-2,5-6,8-9H2,(H2,16,17,18)
InChIKeyGLOOAZNYSFUKQV-UHFFFAOYSA-N
XLogP2.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003191
[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002799
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclohexyl]methanethiol
CID 82719369
[1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide
CID 65010191
[1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65002646
[4-[(4-chloro-3-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006047
[1-[(2-chloro-5-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002656
[1-[(2,6-difluorophenoxy)methyl]cyclohexyl]methanesulfonamide
CID 81265285
[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
CID 65006602
4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene
CID 82716872
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopropyl]methanethiol
CID 82719141
[1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003047

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of [1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide (CID 82727324) is [1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for [1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for [1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide is NS(=O)(=O)CC1(COc2ccc(Cl)c(F)c2)CCCC1.
What is the InChIKey of [1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide?
The InChIKey is GLOOAZNYSFUKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c14-11-4-3-10(7-12(11)15)19-8-13(5-1-2-6-13)9-20(16,17)18/h3-4,7H,1-2,5-6,8-9H2,(H2,16,17,18).
What are the key properties of [1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide?
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide has a molecular weight of 321.80 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 82727324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).