N-[2-(chloromethyl)cyclopentyl]methanesulfonamide

C7H14ClNO2S — CID 106367584

IUPACN-[2-(chloromethyl)cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCC1CCl
InChIInChI=1S/C7H14ClNO2S/c1-12(10,11)9-7-4-2-3-6(7)5-8/h6-7,9H,2-5H2,1H3
InChIKeyFIFSZHVDFKBQLY-UHFFFAOYSA-N
MW211.71 g/mol
LogP0.94
Rot. Bonds3

About N-[2-(chloromethyl)cyclopentyl]methanesulfonamide

N-[2-(chloromethyl)cyclopentyl]methanesulfonamide (PubChem CID 106367584) has the molecular formula C7H14ClNO2S and a molecular weight of 211.71 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]methanesulfonamide
PubChem CID106367584
Molecular FormulaC7H14ClNO2S
Molecular Weight211.71 g/mol
Exact Mass211.04
IUPAC NameN-[2-(chloromethyl)cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCC1CCl
InChIInChI=1S/C7H14ClNO2S/c1-12(10,11)9-7-4-2-3-6(7)5-8/h6-7,9H,2-5H2,1H3
InChIKeyFIFSZHVDFKBQLY-UHFFFAOYSA-N
XLogP0.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.71
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]methanesulfonamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]methanesulfonamide (CID 106367584) is N-[2-(chloromethyl)cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]methanesulfonamide is CS(=O)(=O)NC1CCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]methanesulfonamide?
The InChIKey is FIFSZHVDFKBQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2S/c1-12(10,11)9-7-4-2-3-6(7)5-8/h6-7,9H,2-5H2,1H3.
What are the key properties of N-[2-(chloromethyl)cyclopentyl]methanesulfonamide?
N-[2-(chloromethyl)cyclopentyl]methanesulfonamide has a molecular weight of 211.71 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]methanesulfonamide is sourced from PubChem (CID 106367584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).