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

C14H20ClNO3S — CID 65003191

IUPAC[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
SMILESCc1cc(OCC2(CS(N)(=O)=O)CCCC2)ccc1Cl
InChIInChI=1S/C14H20ClNO3S/c1-11-8-12(4-5-13(11)15)19-9-14(6-2-3-7-14)10-20(16,17)18/h4-5,8H,2-3,6-7,9-10H2,1H3,(H2,16,17,18)
InChIKeyVYVNJBUGXYSZEZ-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.88
Rot. Bonds5

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

[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide (PubChem CID 65003191) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is [1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
PubChem CID65003191
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
SMILESCc1cc(OCC2(CS(N)(=O)=O)CCCC2)ccc1Cl
InChIInChI=1S/C14H20ClNO3S/c1-11-8-12(4-5-13(11)15)19-9-14(6-2-3-7-14)10-20(16,17)18/h4-5,8H,2-3,6-7,9-10H2,1H3,(H2,16,17,18)
InChIKeyVYVNJBUGXYSZEZ-UHFFFAOYSA-N
XLogP2.88
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-chloro-3-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006047
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 82727324
[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002799
[1-[(2-chloro-5-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002656
[1-[(3-chlorophenoxy)methyl]cycloheptyl]methanesulfonamide
CID 65010191
[1-[(4-chloro-2-methylphenoxy)methyl]cyclohexyl]methanesulfonamide
CID 65006703
[1-[(3,4-dichlorophenoxy)methyl]cyclopentyl]methanesulfonyl chloride
CID 65002646
[1-[(2,6-dimethylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003339
[1-(phenoxymethyl)cyclohexyl]methanesulfonamide
CID 65006602
[1-[(3-propan-2-ylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003158
[1-[(4-cyanophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003047
[1-[(4-nitrophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002898

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of [1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide (CID 65003191) is [1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for [1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for [1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide is Cc1cc(OCC2(CS(N)(=O)=O)CCCC2)ccc1Cl.
What is the InChIKey of [1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide?
The InChIKey is VYVNJBUGXYSZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-11-8-12(4-5-13(11)15)19-9-14(6-2-3-7-14)10-20(16,17)18/h4-5,8H,2-3,6-7,9-10H2,1H3,(H2,16,17,18).
What are the key properties of [1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide?
[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 2.88, 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-methylphenoxy)methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 65003191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).