N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide

C12H17BrN2O2S — CID 80662740

IUPACN-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NC1CCCC1Br
InChIInChI=1S/C12H17BrN2O2S/c13-11-5-3-6-12(11)15-18(16,17)9-7-10-4-1-2-8-14-10/h1-2,4,8,11-12,15H,3,5-7,9H2
InChIKeyUFZNZMLYWKMBAC-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.86
Rot. Bonds5

About N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide

N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 80662740) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID80662740
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC NameN-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NC1CCCC1Br
InChIInChI=1S/C12H17BrN2O2S/c13-11-5-3-6-12(11)15-18(16,17)9-7-10-4-1-2-8-14-10/h1-2,4,8,11-12,15H,3,5-7,9H2
InChIKeyUFZNZMLYWKMBAC-UHFFFAOYSA-N
XLogP1.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.86
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)cyclopentyl]-2-pyridin-2-ylethanesulfonamide
CID 114179778
N-[(1R,2R)-2-aminocyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 93453148
N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 106367830
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544
N-(2-bromocyclopentyl)propane-1-sulfonamide
CID 80661645
N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide
CID 63631308
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 61123473
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
CID 114794213
N-(1-bromobutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 114298456
N-(2-bromocyclopentyl)-2-phenylpropane-1-sulfonamide
CID 80686401
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-pyridin-2-ylethanesulfonamide
CID 114011018

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide (CID 80662740) is N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide is O=S(=O)(CCc1ccccn1)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is UFZNZMLYWKMBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c13-11-5-3-6-12(11)15-18(16,17)9-7-10-4-1-2-8-14-10/h1-2,4,8,11-12,15H,3,5-7,9H2.
What are the key properties of N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide?
N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 333.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 80662740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).