N-(2-bromoethyl)propane-2-sulfonamide

C5H12BrNO2S — CID 60865660

IUPACN-(2-bromoethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCBr
InChIInChI=1S/C5H12BrNO2S/c1-5(2)10(8,9)7-4-3-6/h5,7H,3-4H2,1-2H3
InChIKeyABRSTFLOYLEATF-UHFFFAOYSA-N
MW230.13 g/mol
LogP0.71
Rot. Bonds4

About N-(2-bromoethyl)propane-2-sulfonamide

N-(2-bromoethyl)propane-2-sulfonamide (PubChem CID 60865660) has the molecular formula C5H12BrNO2S and a molecular weight of 230.13 g/mol. Its IUPAC name is N-(2-bromoethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)propane-2-sulfonamide
PubChem CID60865660
Molecular FormulaC5H12BrNO2S
Molecular Weight230.13 g/mol
Exact Mass228.98
IUPAC NameN-(2-bromoethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCBr
InChIInChI=1S/C5H12BrNO2S/c1-5(2)10(8,9)7-4-3-6/h5,7H,3-4H2,1-2H3
InChIKeyABRSTFLOYLEATF-UHFFFAOYSA-N
XLogP0.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.13
LogP ≤ 50.71
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)propane-2-sulfonamide?
The IUPAC name of N-(2-bromoethyl)propane-2-sulfonamide (CID 60865660) is N-(2-bromoethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCCBr.
What is the InChIKey of N-(2-bromoethyl)propane-2-sulfonamide?
The InChIKey is ABRSTFLOYLEATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BrNO2S/c1-5(2)10(8,9)7-4-3-6/h5,7H,3-4H2,1-2H3.
What are the key properties of N-(2-bromoethyl)propane-2-sulfonamide?
N-(2-bromoethyl)propane-2-sulfonamide has a molecular weight of 230.13 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)propane-2-sulfonamide is sourced from PubChem (CID 60865660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).