N-(difluoromethyl)-N-ethylmethanesulfonamide

C4H9F2NO2S — CID 164554315

IUPACN-(difluoromethyl)-N-ethylmethanesulfonamide
SMILESCCN(C(F)F)S(C)(=O)=O
InChIInChI=1S/C4H9F2NO2S/c1-3-7(4(5)6)10(2,8)9/h4H,3H2,1-2H3
InChIKeyZBWQAFTXHFHYPA-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.49
Rot. Bonds3

About N-(difluoromethyl)-N-ethylmethanesulfonamide

N-(difluoromethyl)-N-ethylmethanesulfonamide (PubChem CID 164554315) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is N-(difluoromethyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-ethylmethanesulfonamide
PubChem CID164554315
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC NameN-(difluoromethyl)-N-ethylmethanesulfonamide
SMILESCCN(C(F)F)S(C)(=O)=O
InChIInChI=1S/C4H9F2NO2S/c1-3-7(4(5)6)10(2,8)9/h4H,3H2,1-2H3
InChIKeyZBWQAFTXHFHYPA-UHFFFAOYSA-N
XLogP0.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.49
H-Bond Donors ≤ 50
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-(difluoromethyl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(difluoromethyl)-N-ethylmethanesulfonamide (CID 164554315) is N-(difluoromethyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(difluoromethyl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(difluoromethyl)-N-ethylmethanesulfonamide is CCN(C(F)F)S(C)(=O)=O.
What is the InChIKey of N-(difluoromethyl)-N-ethylmethanesulfonamide?
The InChIKey is ZBWQAFTXHFHYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c1-3-7(4(5)6)10(2,8)9/h4H,3H2,1-2H3.
What are the key properties of N-(difluoromethyl)-N-ethylmethanesulfonamide?
N-(difluoromethyl)-N-ethylmethanesulfonamide has a molecular weight of 173.18 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 164554315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).