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

C10H20F3NO3S — CID 113356070

IUPAC4,4,4-trifluoro-N-(2-hydroxy-4-methylpentyl)butane-1-sulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO3S/c1-8(2)6-9(15)7-14-18(16,17)5-3-4-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyPKRLWSMSWVUBES-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.66
Rot. Bonds8

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

4,4,4-trifluoro-N-(2-hydroxy-4-methylpentyl)butane-1-sulfonamide (PubChem CID 113356070) 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-4-methylpentyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxy-4-methylpentyl)butane-1-sulfonamide
PubChem CID113356070
Molecular FormulaC10H20F3NO3S
Molecular Weight291.34 g/mol
Exact Mass291.11
IUPAC Name4,4,4-trifluoro-N-(2-hydroxy-4-methylpentyl)butane-1-sulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NO3S/c1-8(2)6-9(15)7-14-18(16,17)5-3-4-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyPKRLWSMSWVUBES-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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-4-methylpentyl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxy-4-methylpentyl)butane-1-sulfonamide (CID 113356070) is 4,4,4-trifluoro-N-(2-hydroxy-4-methylpentyl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxy-4-methylpentyl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxy-4-methylpentyl)butane-1-sulfonamide is CC(C)CC(O)CNS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxy-4-methylpentyl)butane-1-sulfonamide?
The InChIKey is PKRLWSMSWVUBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO3S/c1-8(2)6-9(15)7-14-18(16,17)5-3-4-10(11,12)13/h8-9,14-15H,3-7H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxy-4-methylpentyl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(2-hydroxy-4-methylpentyl)butane-1-sulfonamide has a molecular weight of 291.34 g/mol, XLogP of 1.66, 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-4-methylpentyl)butane-1-sulfonamide is sourced from PubChem (CID 113356070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).