N-bromo-1-fluoro-N-pentylmethanesulfonamide

C6H13BrFNO2S — CID 118574484

IUPACN-bromo-1-fluoro-N-pentylmethanesulfonamide
SMILESCCCCCN(Br)S(=O)(=O)CF
InChIInChI=1S/C6H13BrFNO2S/c1-2-3-4-5-9(7)12(10,11)6-8/h2-6H2,1H3
InChIKeyODGMCZZADZEKER-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.05
Rot. Bonds6

About N-bromo-1-fluoro-N-pentylmethanesulfonamide

N-bromo-1-fluoro-N-pentylmethanesulfonamide (PubChem CID 118574484) has the molecular formula C6H13BrFNO2S and a molecular weight of 262.14 g/mol. Its IUPAC name is N-bromo-1-fluoro-N-pentylmethanesulfonamide.

Molecular Properties

Compound NameN-bromo-1-fluoro-N-pentylmethanesulfonamide
PubChem CID118574484
Molecular FormulaC6H13BrFNO2S
Molecular Weight262.14 g/mol
Exact Mass260.98
IUPAC NameN-bromo-1-fluoro-N-pentylmethanesulfonamide
SMILESCCCCCN(Br)S(=O)(=O)CF
InChIInChI=1S/C6H13BrFNO2S/c1-2-3-4-5-9(7)12(10,11)6-8/h2-6H2,1H3
InChIKeyODGMCZZADZEKER-UHFFFAOYSA-N
XLogP2.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.05
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-pentylmethanesulfonamide?
The IUPAC name of N-bromo-1-fluoro-N-pentylmethanesulfonamide (CID 118574484) is N-bromo-1-fluoro-N-pentylmethanesulfonamide.
What is the SMILES notation for N-bromo-1-fluoro-N-pentylmethanesulfonamide?
The canonical SMILES for N-bromo-1-fluoro-N-pentylmethanesulfonamide is CCCCCN(Br)S(=O)(=O)CF.
What is the InChIKey of N-bromo-1-fluoro-N-pentylmethanesulfonamide?
The InChIKey is ODGMCZZADZEKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrFNO2S/c1-2-3-4-5-9(7)12(10,11)6-8/h2-6H2,1H3.
What are the key properties of N-bromo-1-fluoro-N-pentylmethanesulfonamide?
N-bromo-1-fluoro-N-pentylmethanesulfonamide has a molecular weight of 262.14 g/mol, XLogP of 2.05, 6 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-pentylmethanesulfonamide is sourced from PubChem (CID 118574484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).