N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide

C7H16BrNO2S — CID 80675973

IUPACN-(2-bromoethyl)-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC)CCBr
InChIInChI=1S/C7H16BrNO2S/c1-3-7-12(10,11)9(4-2)6-5-8/h3-7H2,1-2H3
InChIKeyFHIOZNJLGOOGDC-UHFFFAOYSA-N
MW258.18 g/mol
LogP1.44
Rot. Bonds6

About N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide

N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide (PubChem CID 80675973) has the molecular formula C7H16BrNO2S and a molecular weight of 258.18 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-ethylpropane-1-sulfonamide
PubChem CID80675973
Molecular FormulaC7H16BrNO2S
Molecular Weight258.18 g/mol
Exact Mass257.01
IUPAC NameN-(2-bromoethyl)-N-ethylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC)CCBr
InChIInChI=1S/C7H16BrNO2S/c1-3-7-12(10,11)9(4-2)6-5-8/h3-7H2,1-2H3
InChIKeyFHIOZNJLGOOGDC-UHFFFAOYSA-N
XLogP1.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 51.44
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-ethylpropane-1-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide (CID 80675973) is N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide is CCCS(=O)(=O)N(CC)CCBr.
What is the InChIKey of N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide?
The InChIKey is FHIOZNJLGOOGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BrNO2S/c1-3-7-12(10,11)9(4-2)6-5-8/h3-7H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide?
N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide has a molecular weight of 258.18 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-ethylpropane-1-sulfonamide is sourced from PubChem (CID 80675973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).