N-(fluoromethyl)ethanesulfonamide

C3H8FNO2S — CID 175323471

IUPACN-(fluoromethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCF
InChIInChI=1S/C3H8FNO2S/c1-2-8(6,7)5-3-4/h5H,2-3H2,1H3
InChIKeyXXVSTDSHPITMBH-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.15
Rot. Bonds3

About N-(fluoromethyl)ethanesulfonamide

N-(fluoromethyl)ethanesulfonamide (PubChem CID 175323471) has the molecular formula C3H8FNO2S and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(fluoromethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(fluoromethyl)ethanesulfonamide
PubChem CID175323471
Molecular FormulaC3H8FNO2S
Molecular Weight141.17 g/mol
Exact Mass141.03
IUPAC NameN-(fluoromethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCF
InChIInChI=1S/C3H8FNO2S/c1-2-8(6,7)5-3-4/h5H,2-3H2,1H3
InChIKeyXXVSTDSHPITMBH-UHFFFAOYSA-N
XLogP-0.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)ethanesulfonamide?
The IUPAC name of N-(fluoromethyl)ethanesulfonamide (CID 175323471) is N-(fluoromethyl)ethanesulfonamide.
What is the SMILES notation for N-(fluoromethyl)ethanesulfonamide?
The canonical SMILES for N-(fluoromethyl)ethanesulfonamide is CCS(=O)(=O)NCF.
What is the InChIKey of N-(fluoromethyl)ethanesulfonamide?
The InChIKey is XXVSTDSHPITMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNO2S/c1-2-8(6,7)5-3-4/h5H,2-3H2,1H3.
What are the key properties of N-(fluoromethyl)ethanesulfonamide?
N-(fluoromethyl)ethanesulfonamide has a molecular weight of 141.17 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)ethanesulfonamide is sourced from PubChem (CID 175323471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).