4,4,4-trifluoro-N-methylbutane-1-sulfonamide

C5H10F3NO2S — CID 83067812

IUPAC4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-9-12(10,11)4-2-3-5(6,7)8/h9H,2-4H2,1H3
InChIKeyODDFYWXSMGIPBQ-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.88
Rot. Bonds4

About 4,4,4-trifluoro-N-methylbutane-1-sulfonamide

4,4,4-trifluoro-N-methylbutane-1-sulfonamide (PubChem CID 83067812) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methylbutane-1-sulfonamide
PubChem CID83067812
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-9-12(10,11)4-2-3-5(6,7)8/h9H,2-4H2,1H3
InChIKeyODDFYWXSMGIPBQ-UHFFFAOYSA-N
XLogP0.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-methylbutane-1-sulfonamide (CID 83067812) is 4,4,4-trifluoro-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-methylbutane-1-sulfonamide is CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The InChIKey is ODDFYWXSMGIPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-9-12(10,11)4-2-3-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
4,4,4-trifluoro-N-methylbutane-1-sulfonamide has a molecular weight of 205.20 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 83067812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).