N-(difluoromethyl)methanesulfonamide

C2H5F2NO2S — CID 87564089

IUPACN-(difluoromethyl)methanesulfonamide
SMILESCS(=O)(=O)NC(F)F
InChIInChI=1S/C2H5F2NO2S/c1-8(6,7)5-2(3)4/h2,5H,1H3
InChIKeyGAMJUZHUHZCKKB-UHFFFAOYSA-N
MW145.13 g/mol
LogP-0.24
Rot. Bonds2

About N-(difluoromethyl)methanesulfonamide

N-(difluoromethyl)methanesulfonamide (PubChem CID 87564089) has the molecular formula C2H5F2NO2S and a molecular weight of 145.13 g/mol. Its IUPAC name is N-(difluoromethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(difluoromethyl)methanesulfonamide
PubChem CID87564089
Molecular FormulaC2H5F2NO2S
Molecular Weight145.13 g/mol
Exact Mass145.00
IUPAC NameN-(difluoromethyl)methanesulfonamide
SMILESCS(=O)(=O)NC(F)F
InChIInChI=1S/C2H5F2NO2S/c1-8(6,7)5-2(3)4/h2,5H,1H3
InChIKeyGAMJUZHUHZCKKB-UHFFFAOYSA-N
XLogP-0.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 5-0.24
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-(difluoromethyl)methanesulfonamide?
The IUPAC name of N-(difluoromethyl)methanesulfonamide (CID 87564089) is N-(difluoromethyl)methanesulfonamide.
What is the SMILES notation for N-(difluoromethyl)methanesulfonamide?
The canonical SMILES for N-(difluoromethyl)methanesulfonamide is CS(=O)(=O)NC(F)F.
What is the InChIKey of N-(difluoromethyl)methanesulfonamide?
The InChIKey is GAMJUZHUHZCKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F2NO2S/c1-8(6,7)5-2(3)4/h2,5H,1H3.
What are the key properties of N-(difluoromethyl)methanesulfonamide?
N-(difluoromethyl)methanesulfonamide has a molecular weight of 145.13 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)methanesulfonamide is sourced from PubChem (CID 87564089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).