N-fluoro-N-propylpropane-1-sulfonamide

C6H14FNO2S — CID 118574466

IUPACN-fluoro-N-propylpropane-1-sulfonamide
SMILESCCCN(F)S(=O)(=O)CCC
InChIInChI=1S/C6H14FNO2S/c1-3-5-8(7)11(9,10)6-4-2/h3-6H2,1-2H3
InChIKeyPGIXVJLFSAHPSG-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.32
Rot. Bonds5

About N-fluoro-N-propylpropane-1-sulfonamide

N-fluoro-N-propylpropane-1-sulfonamide (PubChem CID 118574466) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is N-fluoro-N-propylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-fluoro-N-propylpropane-1-sulfonamide
PubChem CID118574466
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC NameN-fluoro-N-propylpropane-1-sulfonamide
SMILESCCCN(F)S(=O)(=O)CCC
InChIInChI=1S/C6H14FNO2S/c1-3-5-8(7)11(9,10)6-4-2/h3-6H2,1-2H3
InChIKeyPGIXVJLFSAHPSG-UHFFFAOYSA-N
XLogP1.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.32
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-propylpropane-1-sulfonamide?
The IUPAC name of N-fluoro-N-propylpropane-1-sulfonamide (CID 118574466) is N-fluoro-N-propylpropane-1-sulfonamide.
What is the SMILES notation for N-fluoro-N-propylpropane-1-sulfonamide?
The canonical SMILES for N-fluoro-N-propylpropane-1-sulfonamide is CCCN(F)S(=O)(=O)CCC.
What is the InChIKey of N-fluoro-N-propylpropane-1-sulfonamide?
The InChIKey is PGIXVJLFSAHPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c1-3-5-8(7)11(9,10)6-4-2/h3-6H2,1-2H3.
What are the key properties of N-fluoro-N-propylpropane-1-sulfonamide?
N-fluoro-N-propylpropane-1-sulfonamide has a molecular weight of 183.25 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-propylpropane-1-sulfonamide is sourced from PubChem (CID 118574466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).