N-(2-fluoropropyl)-2-methylpropane-2-sulfonamide

C7H16FNO2S — CID 118423464

IUPACN-(2-fluoropropyl)-2-methylpropane-2-sulfonamide
SMILESCC(F)CNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H16FNO2S/c1-6(8)5-9-12(10,11)7(2,3)4/h6,9H,5H2,1-4H3
InChIKeyPPUZZFDXIUQAJN-UHFFFAOYSA-N
MW197.27 g/mol
LogP1.06
Rot. Bonds3

About N-(2-fluoropropyl)-2-methylpropane-2-sulfonamide

N-(2-fluoropropyl)-2-methylpropane-2-sulfonamide (PubChem CID 118423464) has the molecular formula C7H16FNO2S and a molecular weight of 197.27 g/mol. Its IUPAC name is N-(2-fluoropropyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoropropyl)-2-methylpropane-2-sulfonamide
PubChem CID118423464
Molecular FormulaC7H16FNO2S
Molecular Weight197.27 g/mol
Exact Mass197.09
IUPAC NameN-(2-fluoropropyl)-2-methylpropane-2-sulfonamide
SMILESCC(F)CNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H16FNO2S/c1-6(8)5-9-12(10,11)7(2,3)4/h6,9H,5H2,1-4H3
InChIKeyPPUZZFDXIUQAJN-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(2-fluoropropyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-fluoropropyl)-2-methylpropane-2-sulfonamide (CID 118423464) is N-(2-fluoropropyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-fluoropropyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-fluoropropyl)-2-methylpropane-2-sulfonamide is CC(F)CNS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(2-fluoropropyl)-2-methylpropane-2-sulfonamide?
The InChIKey is PPUZZFDXIUQAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO2S/c1-6(8)5-9-12(10,11)7(2,3)4/h6,9H,5H2,1-4H3.
What are the key properties of N-(2-fluoropropyl)-2-methylpropane-2-sulfonamide?
N-(2-fluoropropyl)-2-methylpropane-2-sulfonamide has a molecular weight of 197.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 118423464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).