N-bromo-1-fluoro-N-propylmethanesulfonamide

C4H9BrFNO2S — CID 118574580

IUPACN-bromo-1-fluoro-N-propylmethanesulfonamide
SMILESCCCN(Br)S(=O)(=O)CF
InChIInChI=1S/C4H9BrFNO2S/c1-2-3-7(5)10(8,9)4-6/h2-4H2,1H3
InChIKeySLEZVOGUPKVKSI-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.27
Rot. Bonds4

About N-bromo-1-fluoro-N-propylmethanesulfonamide

N-bromo-1-fluoro-N-propylmethanesulfonamide (PubChem CID 118574580) has the molecular formula C4H9BrFNO2S and a molecular weight of 234.09 g/mol. Its IUPAC name is N-bromo-1-fluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-bromo-1-fluoro-N-propylmethanesulfonamide
PubChem CID118574580
Molecular FormulaC4H9BrFNO2S
Molecular Weight234.09 g/mol
Exact Mass232.95
IUPAC NameN-bromo-1-fluoro-N-propylmethanesulfonamide
SMILESCCCN(Br)S(=O)(=O)CF
InChIInChI=1S/C4H9BrFNO2S/c1-2-3-7(5)10(8,9)4-6/h2-4H2,1H3
InChIKeySLEZVOGUPKVKSI-UHFFFAOYSA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-bromo-N-butyl-2-fluoroethanesulfonamide
CID 118574424
N-fluoro-N-propylmethanesulfonamide
CID 118574431
N-bromo-1-fluoro-N-hexylmethanesulfonamide
CID 118574432
N-bromo-N-ethyl-1-fluoromethanesulfonamide
CID 118574433
N-chloro-1-fluoro-N-propylmethanesulfonamide
CID 118574434
N-bromo-2-fluoro-N-propylethanesulfonamide
CID 118574445
N-bromo-1-fluoro-N-pentylmethanesulfonamide
CID 118574484
N-bromo-N-ethyl-2-fluoroethanesulfonamide
CID 118574531
N,1-difluoro-N-propylmethanesulfonamide
CID 118574596
1-fluoro-N-iodo-N-propylmethanesulfonamide
CID 118574597
N-bromo-N-butyl-1-fluoromethanesulfonamide
CID 118574641
[Methylsulfonyl(propyl)amino] thiohypobromite
CID 18914760

Frequently Asked Questions

What is the IUPAC name of N-bromo-1-fluoro-N-propylmethanesulfonamide?
The IUPAC name of N-bromo-1-fluoro-N-propylmethanesulfonamide (CID 118574580) is N-bromo-1-fluoro-N-propylmethanesulfonamide.
What is the SMILES notation for N-bromo-1-fluoro-N-propylmethanesulfonamide?
The canonical SMILES for N-bromo-1-fluoro-N-propylmethanesulfonamide is CCCN(Br)S(=O)(=O)CF.
What is the InChIKey of N-bromo-1-fluoro-N-propylmethanesulfonamide?
The InChIKey is SLEZVOGUPKVKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BrFNO2S/c1-2-3-7(5)10(8,9)4-6/h2-4H2,1H3.
What are the key properties of N-bromo-1-fluoro-N-propylmethanesulfonamide?
N-bromo-1-fluoro-N-propylmethanesulfonamide has a molecular weight of 234.09 g/mol, XLogP of 1.27, 4 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-propylmethanesulfonamide is sourced from PubChem (CID 118574580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).