[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide

C13H18ClNO3S — CID 65002799

IUPAC[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C13H18ClNO3S/c14-11-3-5-12(6-4-11)18-9-13(7-1-2-8-13)10-19(15,16)17/h3-6H,1-2,7-10H2,(H2,15,16,17)
InChIKeyICRIQHUBVRJSPR-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.57
Rot. Bonds5

About [1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide

[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide (PubChem CID 65002799) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is [1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
PubChem CID65002799
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C13H18ClNO3S/c14-11-3-5-12(6-4-11)18-9-13(7-1-2-8-13)10-19(15,16)17/h3-6H,1-2,7-10H2,(H2,15,16,17)
InChIKeyICRIQHUBVRJSPR-UHFFFAOYSA-N
XLogP2.57
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of [1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide (CID 65002799) is [1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for [1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for [1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide is NS(=O)(=O)CC1(COc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide?
The InChIKey is ICRIQHUBVRJSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c14-11-3-5-12(6-4-11)18-9-13(7-1-2-8-13)10-19(15,16)17/h3-6H,1-2,7-10H2,(H2,15,16,17).
What are the key properties of [1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide?
[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 65002799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).