N-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide

C7H16FNO2S — CID 168726710

IUPACN-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC(C)(C)CF
InChIInChI=1S/C7H16FNO2S/c1-6(2)12(10,11)9-7(3,4)5-8/h6,9H,5H2,1-4H3
InChIKeyHBSXHMLHZFBDGG-UHFFFAOYSA-N
MW197.27 g/mol
LogP1.06
Rot. Bonds4

About N-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide

N-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide (PubChem CID 168726710) has the molecular formula C7H16FNO2S and a molecular weight of 197.27 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide
PubChem CID168726710
Molecular FormulaC7H16FNO2S
Molecular Weight197.27 g/mol
Exact Mass197.09
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC(C)(C)CF
InChIInChI=1S/C7H16FNO2S/c1-6(2)12(10,11)9-7(3,4)5-8/h6,9H,5H2,1-4H3
InChIKeyHBSXHMLHZFBDGG-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 51.06
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)propane-2-sulfonamide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide (CID 168726710) is N-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC(C)(C)CF.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide?
The InChIKey is HBSXHMLHZFBDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO2S/c1-6(2)12(10,11)9-7(3,4)5-8/h6,9H,5H2,1-4H3.
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide?
N-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide has a molecular weight of 197.27 g/mol, XLogP of 1.06, 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)propane-2-sulfonamide is sourced from PubChem (CID 168726710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).