2-bromo-N-tert-butylethanesulfonamide

C6H14BrNO2S — CID 175257796

IUPAC2-bromo-N-tert-butylethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCBr
InChIInChI=1S/C6H14BrNO2S/c1-6(2,3)8-11(9,10)5-4-7/h8H,4-5H2,1-3H3
InChIKeyYKFOUGJXNRNYSN-UHFFFAOYSA-N
MW244.15 g/mol
LogP1.10
Rot. Bonds3

About 2-bromo-N-tert-butylethanesulfonamide

2-bromo-N-tert-butylethanesulfonamide (PubChem CID 175257796) has the molecular formula C6H14BrNO2S and a molecular weight of 244.15 g/mol. Its IUPAC name is 2-bromo-N-tert-butylethanesulfonamide.

Molecular Properties

Compound Name2-bromo-N-tert-butylethanesulfonamide
PubChem CID175257796
Molecular FormulaC6H14BrNO2S
Molecular Weight244.15 g/mol
Exact Mass242.99
IUPAC Name2-bromo-N-tert-butylethanesulfonamide
SMILESCC(C)(C)NS(=O)(=O)CCBr
InChIInChI=1S/C6H14BrNO2S/c1-6(2,3)8-11(9,10)5-4-7/h8H,4-5H2,1-3H3
InChIKeyYKFOUGJXNRNYSN-UHFFFAOYSA-N
XLogP1.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 51.10
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 2-bromo-N-tert-butylethanesulfonamide?
The IUPAC name of 2-bromo-N-tert-butylethanesulfonamide (CID 175257796) is 2-bromo-N-tert-butylethanesulfonamide.
What is the SMILES notation for 2-bromo-N-tert-butylethanesulfonamide?
The canonical SMILES for 2-bromo-N-tert-butylethanesulfonamide is CC(C)(C)NS(=O)(=O)CCBr.
What is the InChIKey of 2-bromo-N-tert-butylethanesulfonamide?
The InChIKey is YKFOUGJXNRNYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO2S/c1-6(2,3)8-11(9,10)5-4-7/h8H,4-5H2,1-3H3.
What are the key properties of 2-bromo-N-tert-butylethanesulfonamide?
2-bromo-N-tert-butylethanesulfonamide has a molecular weight of 244.15 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-tert-butylethanesulfonamide is sourced from PubChem (CID 175257796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).