N-ethoxy-1-fluoromethanesulfonamide

C3H8FNO3S — CID 175588420

IUPACN-ethoxy-1-fluoromethanesulfonamide
SMILESCCONS(=O)(=O)CF
InChIInChI=1S/C3H8FNO3S/c1-2-8-5-9(6,7)3-4/h5H,2-3H2,1H3
InChIKeyKVDBDHXKQDRYKJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.22
Rot. Bonds4

About N-ethoxy-1-fluoromethanesulfonamide

N-ethoxy-1-fluoromethanesulfonamide (PubChem CID 175588420) has the molecular formula C3H8FNO3S and a molecular weight of 157.17 g/mol. Its IUPAC name is N-ethoxy-1-fluoromethanesulfonamide.

Molecular Properties

Compound NameN-ethoxy-1-fluoromethanesulfonamide
PubChem CID175588420
Molecular FormulaC3H8FNO3S
Molecular Weight157.17 g/mol
Exact Mass157.02
IUPAC NameN-ethoxy-1-fluoromethanesulfonamide
SMILESCCONS(=O)(=O)CF
InChIInChI=1S/C3H8FNO3S/c1-2-8-5-9(6,7)3-4/h5H,2-3H2,1H3
InChIKeyKVDBDHXKQDRYKJ-UHFFFAOYSA-N
XLogP-0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-fluoromethanesulfonamide?
The IUPAC name of N-ethoxy-1-fluoromethanesulfonamide (CID 175588420) is N-ethoxy-1-fluoromethanesulfonamide.
What is the SMILES notation for N-ethoxy-1-fluoromethanesulfonamide?
The canonical SMILES for N-ethoxy-1-fluoromethanesulfonamide is CCONS(=O)(=O)CF.
What is the InChIKey of N-ethoxy-1-fluoromethanesulfonamide?
The InChIKey is KVDBDHXKQDRYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNO3S/c1-2-8-5-9(6,7)3-4/h5H,2-3H2,1H3.
What are the key properties of N-ethoxy-1-fluoromethanesulfonamide?
N-ethoxy-1-fluoromethanesulfonamide has a molecular weight of 157.17 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-fluoromethanesulfonamide is sourced from PubChem (CID 175588420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).