N-(2-bromoethyl)-N-cyclohexylethanesulfonamide

C10H20BrNO2S — CID 80668760

IUPACN-(2-bromoethyl)-N-cyclohexylethanesulfonamide
SMILESCCS(=O)(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C10H20BrNO2S/c1-2-15(13,14)12(9-8-11)10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyAGACLIDBUWASCG-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.37
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclohexylethanesulfonamide

N-(2-bromoethyl)-N-cyclohexylethanesulfonamide (PubChem CID 80668760) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexylethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexylethanesulfonamide
PubChem CID80668760
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-(2-bromoethyl)-N-cyclohexylethanesulfonamide
SMILESCCS(=O)(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C10H20BrNO2S/c1-2-15(13,14)12(9-8-11)10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyAGACLIDBUWASCG-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
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-bromoethyl)-N-cyclohexylethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexylethanesulfonamide (CID 80668760) is N-(2-bromoethyl)-N-cyclohexylethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexylethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexylethanesulfonamide is CCS(=O)(=O)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexylethanesulfonamide?
The InChIKey is AGACLIDBUWASCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-2-15(13,14)12(9-8-11)10-6-4-3-5-7-10/h10H,2-9H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexylethanesulfonamide?
N-(2-bromoethyl)-N-cyclohexylethanesulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexylethanesulfonamide is sourced from PubChem (CID 80668760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).