N-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide

C8H16BrNO4S2 — CID 80661960

IUPACN-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C8H16BrNO4S2/c1-15(11,12)5-6-16(13,14)10-8-4-2-3-7(8)9/h7-8,10H,2-6H2,1H3
InChIKeyAKNLDZSOOFPSMH-UHFFFAOYSA-N
MW334.26 g/mol
LogP0.27
Rot. Bonds5

About N-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide

N-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide (PubChem CID 80661960) has the molecular formula C8H16BrNO4S2 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide
PubChem CID80661960
Molecular FormulaC8H16BrNO4S2
Molecular Weight334.26 g/mol
Exact Mass332.97
IUPAC NameN-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C8H16BrNO4S2/c1-15(11,12)5-6-16(13,14)10-8-4-2-3-7(8)9/h7-8,10H,2-6H2,1H3
InChIKeyAKNLDZSOOFPSMH-UHFFFAOYSA-N
XLogP0.27
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide (CID 80661960) is N-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide?
The InChIKey is AKNLDZSOOFPSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO4S2/c1-15(11,12)5-6-16(13,14)10-8-4-2-3-7(8)9/h7-8,10H,2-6H2,1H3.
What are the key properties of N-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide?
N-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide has a molecular weight of 334.26 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 80661960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).