2-fluoro-N-(2-methylpropyl)ethanesulfonamide

C6H14FNO2S — CID 89270267

IUPAC2-fluoro-N-(2-methylpropyl)ethanesulfonamide
SMILESCC(C)CNS(=O)(=O)CCF
InChIInChI=1S/C6H14FNO2S/c1-6(2)5-8-11(9,10)4-3-7/h6,8H,3-5H2,1-2H3
InChIKeySMTGFPVOTOTZCD-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.53
Rot. Bonds5

About 2-fluoro-N-(2-methylpropyl)ethanesulfonamide

2-fluoro-N-(2-methylpropyl)ethanesulfonamide (PubChem CID 89270267) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylpropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methylpropyl)ethanesulfonamide
PubChem CID89270267
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC Name2-fluoro-N-(2-methylpropyl)ethanesulfonamide
SMILESCC(C)CNS(=O)(=O)CCF
InChIInChI=1S/C6H14FNO2S/c1-6(2)5-8-11(9,10)4-3-7/h6,8H,3-5H2,1-2H3
InChIKeySMTGFPVOTOTZCD-UHFFFAOYSA-N
XLogP0.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylpropyl)ethanesulfonamide?
The IUPAC name of 2-fluoro-N-(2-methylpropyl)ethanesulfonamide (CID 89270267) is 2-fluoro-N-(2-methylpropyl)ethanesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-methylpropyl)ethanesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-methylpropyl)ethanesulfonamide is CC(C)CNS(=O)(=O)CCF.
What is the InChIKey of 2-fluoro-N-(2-methylpropyl)ethanesulfonamide?
The InChIKey is SMTGFPVOTOTZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c1-6(2)5-8-11(9,10)4-3-7/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-fluoro-N-(2-methylpropyl)ethanesulfonamide?
2-fluoro-N-(2-methylpropyl)ethanesulfonamide has a molecular weight of 183.25 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylpropyl)ethanesulfonamide is sourced from PubChem (CID 89270267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).