3,3-difluoro-N-methylazetidine-1-sulfonamide

C4H8F2N2O2S — CID 129131115

IUPAC3,3-difluoro-N-methylazetidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C4H8F2N2O2S/c1-7-11(9,10)8-2-4(5,6)3-8/h7H,2-3H2,1H3
InChIKeyLQNOYHMWBAFOEM-UHFFFAOYSA-N
MW186.18 g/mol
LogP-0.60
Rot. Bonds2

About 3,3-difluoro-N-methylazetidine-1-sulfonamide

3,3-difluoro-N-methylazetidine-1-sulfonamide (PubChem CID 129131115) has the molecular formula C4H8F2N2O2S and a molecular weight of 186.18 g/mol. Its IUPAC name is 3,3-difluoro-N-methylazetidine-1-sulfonamide.

Molecular Properties

Compound Name3,3-difluoro-N-methylazetidine-1-sulfonamide
PubChem CID129131115
Molecular FormulaC4H8F2N2O2S
Molecular Weight186.18 g/mol
Exact Mass186.03
IUPAC Name3,3-difluoro-N-methylazetidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CC(F)(F)C1
InChIInChI=1S/C4H8F2N2O2S/c1-7-11(9,10)8-2-4(5,6)3-8/h7H,2-3H2,1H3
InChIKeyLQNOYHMWBAFOEM-UHFFFAOYSA-N
XLogP-0.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[Ethyl(methyl)sulfamoyl]amino]-1,1,1-trifluoroethane
CID 88047146
2-[Ethyl(methylsulfamoyl)amino]-1,1,1-trifluoroethane
CID 88047147
1-Amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane
CID 114384014
2-(Dimethylsulfamoylamino)-1,1,1-trifluoroethane
CID 114807153
2-(Diethylsulfamoylamino)-1,1,1-trifluoroethane
CID 114807154
1-Amino-3-[[ethyl(methyl)sulfamoyl]amino]-2,2-difluoropropane
CID 120404834
1-Amino-3-(dimethylsulfamoylamino)-2,2-difluoropropane;hydrochloride
CID 120404895
N-(2-fluoroethyl)azetidine-1-sulfonamide
CID 131224238
1,1-Difluoro-2-[methyl(methylsulfamoyl)amino]ethane
CID 131224289
2-[Ethylsulfamoyl(methyl)amino]-1,1-difluoroethane
CID 162792152
N-(difluoromethoxymethyl)azetidine-1-sulfonamide
CID 175428871
N-methylazetidine-1-sulfonamide
CID 59999330

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methylazetidine-1-sulfonamide?
The IUPAC name of 3,3-difluoro-N-methylazetidine-1-sulfonamide (CID 129131115) is 3,3-difluoro-N-methylazetidine-1-sulfonamide.
What is the SMILES notation for 3,3-difluoro-N-methylazetidine-1-sulfonamide?
The canonical SMILES for 3,3-difluoro-N-methylazetidine-1-sulfonamide is CNS(=O)(=O)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-methylazetidine-1-sulfonamide?
The InChIKey is LQNOYHMWBAFOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O2S/c1-7-11(9,10)8-2-4(5,6)3-8/h7H,2-3H2,1H3.
What are the key properties of 3,3-difluoro-N-methylazetidine-1-sulfonamide?
3,3-difluoro-N-methylazetidine-1-sulfonamide has a molecular weight of 186.18 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methylazetidine-1-sulfonamide is sourced from PubChem (CID 129131115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).