4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide

C8H16F3NO3S — CID 83059712

IUPAC4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
SMILESCC(O)CN(C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-7(13)6-12(2)16(14,15)5-3-4-8(9,10)11/h7,13H,3-6H2,1-2H3
InChIKeyPFBMOVZGPZFPTI-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.97
Rot. Bonds6

About 4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide

4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide (PubChem CID 83059712) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
PubChem CID83059712
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC Name4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
SMILESCC(O)CN(C)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-7(13)6-12(2)16(14,15)5-3-4-8(9,10)11/h7,13H,3-6H2,1-2H3
InChIKeyPFBMOVZGPZFPTI-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.97
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-hydroxypropyl)-N-methylbutane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide (CID 83059712) is 4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide is CC(O)CN(C)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide?
The InChIKey is PFBMOVZGPZFPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-7(13)6-12(2)16(14,15)5-3-4-8(9,10)11/h7,13H,3-6H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide?
4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide has a molecular weight of 263.28 g/mol, XLogP of 0.97, 6 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-hydroxypropyl)-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 83059712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).