N-chloro-2-fluoro-N-methylethanesulfonamide

C3H7ClFNO2S — CID 118574635

IUPACN-chloro-2-fluoro-N-methylethanesulfonamide
SMILESCN(Cl)S(=O)(=O)CCF
InChIInChI=1S/C3H7ClFNO2S/c1-6(4)9(7,8)3-2-5/h2-3H2,1H3
InChIKeyLOZFKTFJFCUNHC-UHFFFAOYSA-N
MW175.61 g/mol
LogP0.37
Rot. Bonds3

About N-chloro-2-fluoro-N-methylethanesulfonamide

N-chloro-2-fluoro-N-methylethanesulfonamide (PubChem CID 118574635) has the molecular formula C3H7ClFNO2S and a molecular weight of 175.61 g/mol. Its IUPAC name is N-chloro-2-fluoro-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-chloro-2-fluoro-N-methylethanesulfonamide
PubChem CID118574635
Molecular FormulaC3H7ClFNO2S
Molecular Weight175.61 g/mol
Exact Mass174.99
IUPAC NameN-chloro-2-fluoro-N-methylethanesulfonamide
SMILESCN(Cl)S(=O)(=O)CCF
InChIInChI=1S/C3H7ClFNO2S/c1-6(4)9(7,8)3-2-5/h2-3H2,1H3
InChIKeyLOZFKTFJFCUNHC-UHFFFAOYSA-N
XLogP0.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 50.37
H-Bond Donors ≤ 50
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-chloro-2-fluoro-N-methylethanesulfonamide?
The IUPAC name of N-chloro-2-fluoro-N-methylethanesulfonamide (CID 118574635) is N-chloro-2-fluoro-N-methylethanesulfonamide.
What is the SMILES notation for N-chloro-2-fluoro-N-methylethanesulfonamide?
The canonical SMILES for N-chloro-2-fluoro-N-methylethanesulfonamide is CN(Cl)S(=O)(=O)CCF.
What is the InChIKey of N-chloro-2-fluoro-N-methylethanesulfonamide?
The InChIKey is LOZFKTFJFCUNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClFNO2S/c1-6(4)9(7,8)3-2-5/h2-3H2,1H3.
What are the key properties of N-chloro-2-fluoro-N-methylethanesulfonamide?
N-chloro-2-fluoro-N-methylethanesulfonamide has a molecular weight of 175.61 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-fluoro-N-methylethanesulfonamide is sourced from PubChem (CID 118574635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).