N-fluoro-N-propylmethanesulfonamide

C4H10FNO2S — CID 118574431

IUPACN-fluoro-N-propylmethanesulfonamide
SMILESCCCN(F)S(C)(=O)=O
InChIInChI=1S/C4H10FNO2S/c1-3-4-6(5)9(2,7)8/h3-4H2,1-2H3
InChIKeyXOIRZKXEHXAHSV-UHFFFAOYSA-N
MW155.19 g/mol
LogP0.54
Rot. Bonds3

About N-fluoro-N-propylmethanesulfonamide

N-fluoro-N-propylmethanesulfonamide (PubChem CID 118574431) has the molecular formula C4H10FNO2S and a molecular weight of 155.19 g/mol. Its IUPAC name is N-fluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-fluoro-N-propylmethanesulfonamide
PubChem CID118574431
Molecular FormulaC4H10FNO2S
Molecular Weight155.19 g/mol
Exact Mass155.04
IUPAC NameN-fluoro-N-propylmethanesulfonamide
SMILESCCCN(F)S(C)(=O)=O
InChIInChI=1S/C4H10FNO2S/c1-3-4-6(5)9(2,7)8/h3-4H2,1-2H3
InChIKeyXOIRZKXEHXAHSV-UHFFFAOYSA-N
XLogP0.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-propylmethanesulfonamide?
The IUPAC name of N-fluoro-N-propylmethanesulfonamide (CID 118574431) is N-fluoro-N-propylmethanesulfonamide.
What is the SMILES notation for N-fluoro-N-propylmethanesulfonamide?
The canonical SMILES for N-fluoro-N-propylmethanesulfonamide is CCCN(F)S(C)(=O)=O.
What is the InChIKey of N-fluoro-N-propylmethanesulfonamide?
The InChIKey is XOIRZKXEHXAHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO2S/c1-3-4-6(5)9(2,7)8/h3-4H2,1-2H3.
What are the key properties of N-fluoro-N-propylmethanesulfonamide?
N-fluoro-N-propylmethanesulfonamide has a molecular weight of 155.19 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-propylmethanesulfonamide is sourced from PubChem (CID 118574431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).