1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide

C6H12F3NO2S — CID 71758667

IUPAC1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide
SMILESCC(C)NS(=O)(=O)C(C)C(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-4(2)10-13(11,12)5(3)6(7,8)9/h4-5,10H,1-3H3
InChIKeyHZISWYOZSVLTMJ-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.26
Rot. Bonds3

About 1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide

1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide (PubChem CID 71758667) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide
PubChem CID71758667
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC Name1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide
SMILESCC(C)NS(=O)(=O)C(C)C(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-4(2)10-13(11,12)5(3)6(7,8)9/h4-5,10H,1-3H3
InChIKeyHZISWYOZSVLTMJ-UHFFFAOYSA-N
XLogP1.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide (CID 71758667) is 1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide is CC(C)NS(=O)(=O)C(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide?
The InChIKey is HZISWYOZSVLTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c1-4(2)10-13(11,12)5(3)6(7,8)9/h4-5,10H,1-3H3.
What are the key properties of 1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide?
1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide has a molecular weight of 219.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-propan-2-ylpropane-2-sulfonamide is sourced from PubChem (CID 71758667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).