4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide

C8H16F3NO3S — CID 102697643

IUPAC4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide
SMILESCOC(C)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-7(15-2)6-12-16(13,14)5-3-4-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyXMKCCONHBBKYHR-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.28
Rot. Bonds7

About 4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide

4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide (PubChem CID 102697643) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide
PubChem CID102697643
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC Name4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide
SMILESCOC(C)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-7(15-2)6-12-16(13,14)5-3-4-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyXMKCCONHBBKYHR-UHFFFAOYSA-N
XLogP1.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide (CID 102697643) is 4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide is COC(C)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide?
The InChIKey is XMKCCONHBBKYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-7(15-2)6-12-16(13,14)5-3-4-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide has a molecular weight of 263.28 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide is sourced from PubChem (CID 102697643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).