N-fluoropropane-2-sulfonamide

C3H8FNO2S — CID 143277140

IUPACN-fluoropropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NF
InChIInChI=1S/C3H8FNO2S/c1-3(2)8(6,7)5-4/h3,5H,1-2H3
InChIKeyKEZHOVAYFGLHAJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.20
Rot. Bonds2

About N-fluoropropane-2-sulfonamide

N-fluoropropane-2-sulfonamide (PubChem CID 143277140) has the molecular formula C3H8FNO2S and a molecular weight of 141.17 g/mol. Its IUPAC name is N-fluoropropane-2-sulfonamide.

Molecular Properties

Compound NameN-fluoropropane-2-sulfonamide
PubChem CID143277140
Molecular FormulaC3H8FNO2S
Molecular Weight141.17 g/mol
Exact Mass141.03
IUPAC NameN-fluoropropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NF
InChIInChI=1S/C3H8FNO2S/c1-3(2)8(6,7)5-4/h3,5H,1-2H3
InChIKeyKEZHOVAYFGLHAJ-UHFFFAOYSA-N
XLogP0.20
TPSA46.17 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 ≤ 50.20
H-Bond Donors ≤ 51
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-fluoropropane-2-sulfonamide?
The IUPAC name of N-fluoropropane-2-sulfonamide (CID 143277140) is N-fluoropropane-2-sulfonamide.
What is the SMILES notation for N-fluoropropane-2-sulfonamide?
The canonical SMILES for N-fluoropropane-2-sulfonamide is CC(C)S(=O)(=O)NF.
What is the InChIKey of N-fluoropropane-2-sulfonamide?
The InChIKey is KEZHOVAYFGLHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNO2S/c1-3(2)8(6,7)5-4/h3,5H,1-2H3.
What are the key properties of N-fluoropropane-2-sulfonamide?
N-fluoropropane-2-sulfonamide has a molecular weight of 141.17 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoropropane-2-sulfonamide is sourced from PubChem (CID 143277140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).