4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide

C10H20F3NO3S — CID 103943159

IUPAC4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO3S/c1-3-5-9(2,15)8-14-18(16,17)7-4-6-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyCBMGTNYSDDETSL-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.80
Rot. Bonds8

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

4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide (PubChem CID 103943159) has the molecular formula C10H20F3NO3S and a molecular weight of 291.34 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide
PubChem CID103943159
Molecular FormulaC10H20F3NO3S
Molecular Weight291.34 g/mol
Exact Mass291.11
IUPAC Name4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO3S/c1-3-5-9(2,15)8-14-18(16,17)7-4-6-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyCBMGTNYSDDETSL-UHFFFAOYSA-N
XLogP1.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide (CID 103943159) is 4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide is CCCC(C)(O)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide?
The InChIKey is CBMGTNYSDDETSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO3S/c1-3-5-9(2,15)8-14-18(16,17)7-4-6-10(11,12)13/h14-15H,3-8H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide has a molecular weight of 291.34 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-hydroxy-2-methylpentyl)butane-1-sulfonamide is sourced from PubChem (CID 103943159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).