N-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide

C6H12F3NO2S — CID 130383011

IUPACN-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-3-4-13(11,12)10-5(2)6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyDKMBFMOACCEZHI-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.27
Rot. Bonds4

About N-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide

N-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide (PubChem CID 130383011) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is N-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide
PubChem CID130383011
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC NameN-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-3-4-13(11,12)10-5(2)6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyDKMBFMOACCEZHI-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 N-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide?
The IUPAC name of N-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide (CID 130383011) is N-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC(C)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide?
The InChIKey is DKMBFMOACCEZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c1-3-4-13(11,12)10-5(2)6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of N-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide?
N-(1,1,1-trifluoropropan-2-yl)propane-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 N-(1,1,1-trifluoropropan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 130383011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).