(3S)-3-(trifluoromethoxy)butane-2-sulfonamide

C5H10F3NO3S — CID 147498682

IUPAC(3S)-3-(trifluoromethoxy)butane-2-sulfonamide
SMILESCC([C@H](C)OC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C5H10F3NO3S/c1-3(12-5(6,7)8)4(2)13(9,10)11/h3-4H,1-2H3,(H2,9,10,11)/t3-,4?/m0/s1
InChIKeyFGZIYLCQVAAPIK-WUCPZUCCSA-N
MW221.20 g/mol
LogP0.59
Rot. Bonds3

About (3S)-3-(trifluoromethoxy)butane-2-sulfonamide

(3S)-3-(trifluoromethoxy)butane-2-sulfonamide (PubChem CID 147498682) has the molecular formula C5H10F3NO3S and a molecular weight of 221.20 g/mol. Its IUPAC name is (3S)-3-(trifluoromethoxy)butane-2-sulfonamide.

Molecular Properties

Compound Name(3S)-3-(trifluoromethoxy)butane-2-sulfonamide
PubChem CID147498682
Molecular FormulaC5H10F3NO3S
Molecular Weight221.20 g/mol
Exact Mass221.03
IUPAC Name(3S)-3-(trifluoromethoxy)butane-2-sulfonamide
SMILESCC([C@H](C)OC(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C5H10F3NO3S/c1-3(12-5(6,7)8)4(2)13(9,10)11/h3-4H,1-2H3,(H2,9,10,11)/t3-,4?/m0/s1
InChIKeyFGZIYLCQVAAPIK-WUCPZUCCSA-N
XLogP0.59
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(trifluoromethoxy)butane-2-sulfonamide?
The IUPAC name of (3S)-3-(trifluoromethoxy)butane-2-sulfonamide (CID 147498682) is (3S)-3-(trifluoromethoxy)butane-2-sulfonamide.
What is the SMILES notation for (3S)-3-(trifluoromethoxy)butane-2-sulfonamide?
The canonical SMILES for (3S)-3-(trifluoromethoxy)butane-2-sulfonamide is CC([C@H](C)OC(F)(F)F)S(N)(=O)=O.
What is the InChIKey of (3S)-3-(trifluoromethoxy)butane-2-sulfonamide?
The InChIKey is FGZIYLCQVAAPIK-WUCPZUCCSA-N. The full InChI is InChI=1S/C5H10F3NO3S/c1-3(12-5(6,7)8)4(2)13(9,10)11/h3-4H,1-2H3,(H2,9,10,11)/t3-,4?/m0/s1.
What are the key properties of (3S)-3-(trifluoromethoxy)butane-2-sulfonamide?
(3S)-3-(trifluoromethoxy)butane-2-sulfonamide has a molecular weight of 221.20 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(trifluoromethoxy)butane-2-sulfonamide is sourced from PubChem (CID 147498682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).