N-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide

C6H14FNO2S — CID 131206866

IUPACN-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)(C)CF
InChIInChI=1S/C6H14FNO2S/c1-4-11(9,10)8-6(2,3)5-7/h8H,4-5H2,1-3H3
InChIKeyWRPSUMFWLCBNRC-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.67
Rot. Bonds4

About N-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide

N-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide (PubChem CID 131206866) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide
PubChem CID131206866
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)(C)CF
InChIInChI=1S/C6H14FNO2S/c1-4-11(9,10)8-6(2,3)5-7/h8H,4-5H2,1-3H3
InChIKeyWRPSUMFWLCBNRC-UHFFFAOYSA-N
XLogP0.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide (CID 131206866) is N-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide is CCS(=O)(=O)NC(C)(C)CF.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide?
The InChIKey is WRPSUMFWLCBNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c1-4-11(9,10)8-6(2,3)5-7/h8H,4-5H2,1-3H3.
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide?
N-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide has a molecular weight of 183.25 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)ethanesulfonamide is sourced from PubChem (CID 131206866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).