N-(2-bromocyclopentyl)ethanesulfonamide

C7H14BrNO2S — CID 80662543

IUPACN-(2-bromocyclopentyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C7H14BrNO2S/c1-2-12(10,11)9-7-5-3-4-6(7)8/h6-7,9H,2-5H2,1H3
InChIKeyJODGWCMURTUHCM-UHFFFAOYSA-N
MW256.16 g/mol
LogP1.24
Rot. Bonds3

About N-(2-bromocyclopentyl)ethanesulfonamide

N-(2-bromocyclopentyl)ethanesulfonamide (PubChem CID 80662543) has the molecular formula C7H14BrNO2S and a molecular weight of 256.16 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)ethanesulfonamide
PubChem CID80662543
Molecular FormulaC7H14BrNO2S
Molecular Weight256.16 g/mol
Exact Mass254.99
IUPAC NameN-(2-bromocyclopentyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C7H14BrNO2S/c1-2-12(10,11)9-7-5-3-4-6(7)8/h6-7,9H,2-5H2,1H3
InChIKeyJODGWCMURTUHCM-UHFFFAOYSA-N
XLogP1.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 51.24
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-bromocyclopentyl)ethanesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)ethanesulfonamide (CID 80662543) is N-(2-bromocyclopentyl)ethanesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)ethanesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)ethanesulfonamide is CCS(=O)(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)ethanesulfonamide?
The InChIKey is JODGWCMURTUHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2S/c1-2-12(10,11)9-7-5-3-4-6(7)8/h6-7,9H,2-5H2,1H3.
What are the key properties of N-(2-bromocyclopentyl)ethanesulfonamide?
N-(2-bromocyclopentyl)ethanesulfonamide has a molecular weight of 256.16 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)ethanesulfonamide is sourced from PubChem (CID 80662543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).