N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide

C13H19ClN2O2S — CID 114179778

IUPACN-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NC1CCCC1CCl
InChIInChI=1S/C13H19ClN2O2S/c14-10-11-4-3-6-13(11)16-19(17,18)9-7-12-5-1-2-8-15-12/h1-2,5,8,11,13,16H,3-4,6-7,9-10H2
InChIKeyYSQRZMALJFBRMX-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide

N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide (PubChem CID 114179778) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide
PubChem CID114179778
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NC1CCCC1CCl
InChIInChI=1S/C13H19ClN2O2S/c14-10-11-4-3-6-13(11)16-19(17,18)9-7-12-5-1-2-8-15-12/h1-2,5,8,11,13,16H,3-4,6-7,9-10H2
InChIKeyYSQRZMALJFBRMX-UHFFFAOYSA-N
XLogP1.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 106367830
N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 80662740
N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 93453148
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544
N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide
CID 114179771
2-[2-[3-(chloromethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63397714
N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide
CID 63631308
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
CID 114794213
2-[2-[3-(2-chloroethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63400545
trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol
CID 93317378
N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 61123473

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide (CID 114179778) is N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide is O=S(=O)(CCc1ccccn1)NC1CCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide?
The InChIKey is YSQRZMALJFBRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c14-10-11-4-3-6-13(11)16-19(17,18)9-7-12-5-1-2-8-15-12/h1-2,5,8,11,13,16H,3-4,6-7,9-10H2.
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide?
N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 114179778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).