1-fluoropropane-1-sulfonamide

C3H8FNO2S — CID 87626452

IUPAC1-fluoropropane-1-sulfonamide
SMILESCCC(F)S(N)(=O)=O
InChIInChI=1S/C3H8FNO2S/c1-2-3(4)8(5,6)7/h3H,2H2,1H3,(H2,5,6,7)
InChIKeyBHRBOAHZCGNTDE-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.02
Rot. Bonds2

About 1-fluoropropane-1-sulfonamide

1-fluoropropane-1-sulfonamide (PubChem CID 87626452) has the molecular formula C3H8FNO2S and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-fluoropropane-1-sulfonamide.

Molecular Properties

Compound Name1-fluoropropane-1-sulfonamide
PubChem CID87626452
Molecular FormulaC3H8FNO2S
Molecular Weight141.17 g/mol
Exact Mass141.03
IUPAC Name1-fluoropropane-1-sulfonamide
SMILESCCC(F)S(N)(=O)=O
InChIInChI=1S/C3H8FNO2S/c1-2-3(4)8(5,6)7/h3H,2H2,1H3,(H2,5,6,7)
InChIKeyBHRBOAHZCGNTDE-UHFFFAOYSA-N
XLogP-0.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropropane-1-sulfonamide?
The IUPAC name of 1-fluoropropane-1-sulfonamide (CID 87626452) is 1-fluoropropane-1-sulfonamide.
What is the SMILES notation for 1-fluoropropane-1-sulfonamide?
The canonical SMILES for 1-fluoropropane-1-sulfonamide is CCC(F)S(N)(=O)=O.
What is the InChIKey of 1-fluoropropane-1-sulfonamide?
The InChIKey is BHRBOAHZCGNTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNO2S/c1-2-3(4)8(5,6)7/h3H,2H2,1H3,(H2,5,6,7).
What are the key properties of 1-fluoropropane-1-sulfonamide?
1-fluoropropane-1-sulfonamide has a molecular weight of 141.17 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropane-1-sulfonamide is sourced from PubChem (CID 87626452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).