1-fluoro-N-propylmethanesulfonamide

C4H10FNO2S — CID 88970211

IUPAC1-fluoro-N-propylmethanesulfonamide
SMILESCCCNS(=O)(=O)CF
InChIInChI=1S/C4H10FNO2S/c1-2-3-6-9(7,8)4-5/h6H,2-4H2,1H3
InChIKeyCHGIVNRBPPDBQC-UHFFFAOYSA-N
MW155.19 g/mol
LogP0.24
Rot. Bonds4

About 1-fluoro-N-propylmethanesulfonamide

1-fluoro-N-propylmethanesulfonamide (PubChem CID 88970211) has the molecular formula C4H10FNO2S and a molecular weight of 155.19 g/mol. Its IUPAC name is 1-fluoro-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-fluoro-N-propylmethanesulfonamide
PubChem CID88970211
Molecular FormulaC4H10FNO2S
Molecular Weight155.19 g/mol
Exact Mass155.04
IUPAC Name1-fluoro-N-propylmethanesulfonamide
SMILESCCCNS(=O)(=O)CF
InChIInChI=1S/C4H10FNO2S/c1-2-3-6-9(7,8)4-5/h6H,2-4H2,1H3
InChIKeyCHGIVNRBPPDBQC-UHFFFAOYSA-N
XLogP0.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(propan-2-yl)methanesulfonamide
CID 312702
N-Ethylmethanesulfonamide
CID 5136276
N-propylmethanesulfonamide
CID 235967
N-(3-Aminopropyl)methanesulfonamide
CID 18350602
N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
N-(2-methylpropyl)methanesulfonamide
CID 4547916
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
CID 58427695
Butan-1-aminium methanesulfonate
CID 88442144
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
N-(2,2-difluoropropyl)methanesulfonamide
CID 18686371
N-(2-fluoropropyl)methanesulfonamide
CID 18686378

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-propylmethanesulfonamide?
The IUPAC name of 1-fluoro-N-propylmethanesulfonamide (CID 88970211) is 1-fluoro-N-propylmethanesulfonamide.
What is the SMILES notation for 1-fluoro-N-propylmethanesulfonamide?
The canonical SMILES for 1-fluoro-N-propylmethanesulfonamide is CCCNS(=O)(=O)CF.
What is the InChIKey of 1-fluoro-N-propylmethanesulfonamide?
The InChIKey is CHGIVNRBPPDBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO2S/c1-2-3-6-9(7,8)4-5/h6H,2-4H2,1H3.
What are the key properties of 1-fluoro-N-propylmethanesulfonamide?
1-fluoro-N-propylmethanesulfonamide has a molecular weight of 155.19 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-propylmethanesulfonamide is sourced from PubChem (CID 88970211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).