N-bromo-1-fluoro-N-hexylmethanesulfonamide

C7H15BrFNO2S — CID 118574432

IUPACN-bromo-1-fluoro-N-hexylmethanesulfonamide
SMILESCCCCCCN(Br)S(=O)(=O)CF
InChIInChI=1S/C7H15BrFNO2S/c1-2-3-4-5-6-10(8)13(11,12)7-9/h2-7H2,1H3
InChIKeyXANDCIFBWTXEJX-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.44
Rot. Bonds7

About N-bromo-1-fluoro-N-hexylmethanesulfonamide

N-bromo-1-fluoro-N-hexylmethanesulfonamide (PubChem CID 118574432) has the molecular formula C7H15BrFNO2S and a molecular weight of 276.17 g/mol. Its IUPAC name is N-bromo-1-fluoro-N-hexylmethanesulfonamide.

Molecular Properties

Compound NameN-bromo-1-fluoro-N-hexylmethanesulfonamide
PubChem CID118574432
Molecular FormulaC7H15BrFNO2S
Molecular Weight276.17 g/mol
Exact Mass275.00
IUPAC NameN-bromo-1-fluoro-N-hexylmethanesulfonamide
SMILESCCCCCCN(Br)S(=O)(=O)CF
InChIInChI=1S/C7H15BrFNO2S/c1-2-3-4-5-6-10(8)13(11,12)7-9/h2-7H2,1H3
InChIKeyXANDCIFBWTXEJX-UHFFFAOYSA-N
XLogP2.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-bromo-1-fluoro-N-hexylmethanesulfonamide?
The IUPAC name of N-bromo-1-fluoro-N-hexylmethanesulfonamide (CID 118574432) is N-bromo-1-fluoro-N-hexylmethanesulfonamide.
What is the SMILES notation for N-bromo-1-fluoro-N-hexylmethanesulfonamide?
The canonical SMILES for N-bromo-1-fluoro-N-hexylmethanesulfonamide is CCCCCCN(Br)S(=O)(=O)CF.
What is the InChIKey of N-bromo-1-fluoro-N-hexylmethanesulfonamide?
The InChIKey is XANDCIFBWTXEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrFNO2S/c1-2-3-4-5-6-10(8)13(11,12)7-9/h2-7H2,1H3.
What are the key properties of N-bromo-1-fluoro-N-hexylmethanesulfonamide?
N-bromo-1-fluoro-N-hexylmethanesulfonamide has a molecular weight of 276.17 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-1-fluoro-N-hexylmethanesulfonamide is sourced from PubChem (CID 118574432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).