1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide

C7H14F3NO3S — CID 107155391

IUPAC1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-5(2)3-6(12)4-11-15(13,14)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyNGAHIFFGWQGXJB-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.83
Rot. Bonds5

About 1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide

1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide (PubChem CID 107155391) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide
PubChem CID107155391
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC Name1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-5(2)3-6(12)4-11-15(13,14)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyNGAHIFFGWQGXJB-UHFFFAOYSA-N
XLogP0.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trifluoro-N-(2-hydroxy-2-methylpentyl)-methanesulfonamide
CID 106290528
1,1,1-trifluoro-N-(2-hydroxybutyl)methanesulfonamide
CID 116243376
1,1,1-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)methanesulfonamide
CID 61246515
1,1-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)methanesulfonamide
CID 61247389
N-(2-cyclopropyl-2-hydroxyethyl)-1,1,1-trifluoromethanesulfonamide
CID 63298386
N-(2-cyclopropyl-2-hydroxyethyl)-1,1-difluoromethanesulfonamide
CID 63299020
1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
CID 66004826
1,1,1-trifluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
CID 66005885
1,1,1-trifluoro-N-(4-hydroxy-2-methylbutyl)methanesulfonamide
CID 66108217
1,1-difluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide
CID 103834315
N-(3-ethyl-2-hydroxypentyl)-1,1-difluoromethanesulfonamide
CID 103835117
1,1-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)methanesulfonamide
CID 103835458

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide (CID 107155391) is 1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide is CC(C)CC(O)CNS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide?
The InChIKey is NGAHIFFGWQGXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S/c1-5(2)3-6(12)4-11-15(13,14)7(8,9)10/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide has a molecular weight of 249.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-hydroxy-4-methylpentyl)methanesulfonamide is sourced from PubChem (CID 107155391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).