N-(2-bromoethyl)ethanesulfonamide

C4H10BrNO2S — CID 43133700

IUPACN-(2-bromoethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCBr
InChIInChI=1S/C4H10BrNO2S/c1-2-9(7,8)6-4-3-5/h6H,2-4H2,1H3
InChIKeyIBOYWUCWIBPRGZ-UHFFFAOYSA-N
MW216.10 g/mol
LogP0.32
Rot. Bonds4

About N-(2-bromoethyl)ethanesulfonamide

N-(2-bromoethyl)ethanesulfonamide (PubChem CID 43133700) has the molecular formula C4H10BrNO2S and a molecular weight of 216.10 g/mol. Its IUPAC name is N-(2-bromoethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)ethanesulfonamide
PubChem CID43133700
Molecular FormulaC4H10BrNO2S
Molecular Weight216.10 g/mol
Exact Mass214.96
IUPAC NameN-(2-bromoethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCBr
InChIInChI=1S/C4H10BrNO2S/c1-2-9(7,8)6-4-3-5/h6H,2-4H2,1H3
InChIKeyIBOYWUCWIBPRGZ-UHFFFAOYSA-N
XLogP0.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.10
LogP ≤ 50.32
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-bromoethyl)ethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)ethanesulfonamide (CID 43133700) is N-(2-bromoethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)ethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)ethanesulfonamide is CCS(=O)(=O)NCCBr.
What is the InChIKey of N-(2-bromoethyl)ethanesulfonamide?
The InChIKey is IBOYWUCWIBPRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrNO2S/c1-2-9(7,8)6-4-3-5/h6H,2-4H2,1H3.
What are the key properties of N-(2-bromoethyl)ethanesulfonamide?
N-(2-bromoethyl)ethanesulfonamide has a molecular weight of 216.10 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)ethanesulfonamide is sourced from PubChem (CID 43133700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).