3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide

C6H12F3NO2S — CID 90380215

IUPAC3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-5(2)10-13(11,12)4-3-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyDJEQPVMXIASBEA-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.27
Rot. Bonds4

About 3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide

3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 90380215) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide
PubChem CID90380215
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC Name3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-5(2)10-13(11,12)4-3-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyDJEQPVMXIASBEA-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide (CID 90380215) is 3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide is CC(C)NS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is DJEQPVMXIASBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c1-5(2)10-13(11,12)4-3-6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide?
3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 219.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 90380215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).