N,1-difluoro-N-propylmethanesulfonamide

C4H9F2NO2S — CID 118574596

IUPACN,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(F)S(=O)(=O)CF
InChIInChI=1S/C4H9F2NO2S/c1-2-3-7(6)10(8,9)4-5/h2-4H2,1H3
InChIKeyOCJZWYYCXWLXHR-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.84
Rot. Bonds4

About N,1-difluoro-N-propylmethanesulfonamide

N,1-difluoro-N-propylmethanesulfonamide (PubChem CID 118574596) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is N,1-difluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN,1-difluoro-N-propylmethanesulfonamide
PubChem CID118574596
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC NameN,1-difluoro-N-propylmethanesulfonamide
SMILESCCCN(F)S(=O)(=O)CF
InChIInChI=1S/C4H9F2NO2S/c1-2-3-7(6)10(8,9)4-5/h2-4H2,1H3
InChIKeyOCJZWYYCXWLXHR-UHFFFAOYSA-N
XLogP0.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.84
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

Propyl(trifluoromethylsulfonyl)azanide
CID 58427689
Butyl(trifluoromethylsulfonyl)azanide
CID 59566563
N-fluoro-N-propylmethanesulfonamide
CID 118574431
N-chloro-1-fluoro-N-propylmethanesulfonamide
CID 118574434
N-ethyl-N,2-difluoroethanesulfonamide
CID 118574450
N-ethyl-N-fluoromethanesulfonamide
CID 118574474
N,2-difluoro-N-propylethanesulfonamide
CID 118574475
N-bromo-1-fluoro-N-propylmethanesulfonamide
CID 118574580
1-fluoro-N-iodo-N-propylmethanesulfonamide
CID 118574597
N-ethyl-N,1-difluoromethanesulfonamide
CID 118574624
Butyl(difluoromethylsulfonyl)azanide
CID 168817434
Methylsulfonyl(propyl)azanide
CID 59584308

Frequently Asked Questions

What is the IUPAC name of N,1-difluoro-N-propylmethanesulfonamide?
The IUPAC name of N,1-difluoro-N-propylmethanesulfonamide (CID 118574596) is N,1-difluoro-N-propylmethanesulfonamide.
What is the SMILES notation for N,1-difluoro-N-propylmethanesulfonamide?
The canonical SMILES for N,1-difluoro-N-propylmethanesulfonamide is CCCN(F)S(=O)(=O)CF.
What is the InChIKey of N,1-difluoro-N-propylmethanesulfonamide?
The InChIKey is OCJZWYYCXWLXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c1-2-3-7(6)10(8,9)4-5/h2-4H2,1H3.
What are the key properties of N,1-difluoro-N-propylmethanesulfonamide?
N,1-difluoro-N-propylmethanesulfonamide has a molecular weight of 173.18 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-difluoro-N-propylmethanesulfonamide is sourced from PubChem (CID 118574596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).