N-(2-fluoroethyl)propane-2-sulfonamide

C5H12FNO2S — CID 130478118

IUPACN-(2-fluoroethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCF
InChIInChI=1S/C5H12FNO2S/c1-5(2)10(8,9)7-4-3-6/h5,7H,3-4H2,1-2H3
InChIKeyJGHVEFHIGOSGGK-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.28
Rot. Bonds4

About N-(2-fluoroethyl)propane-2-sulfonamide

N-(2-fluoroethyl)propane-2-sulfonamide (PubChem CID 130478118) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(2-fluoroethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)propane-2-sulfonamide
PubChem CID130478118
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC NameN-(2-fluoroethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCF
InChIInChI=1S/C5H12FNO2S/c1-5(2)10(8,9)7-4-3-6/h5,7H,3-4H2,1-2H3
InChIKeyJGHVEFHIGOSGGK-UHFFFAOYSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)propane-2-sulfonamide?
The IUPAC name of N-(2-fluoroethyl)propane-2-sulfonamide (CID 130478118) is N-(2-fluoroethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-fluoroethyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-fluoroethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCCF.
What is the InChIKey of N-(2-fluoroethyl)propane-2-sulfonamide?
The InChIKey is JGHVEFHIGOSGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-5(2)10(8,9)7-4-3-6/h5,7H,3-4H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)propane-2-sulfonamide?
N-(2-fluoroethyl)propane-2-sulfonamide has a molecular weight of 169.22 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)propane-2-sulfonamide is sourced from PubChem (CID 130478118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).