4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide

C11H22F3NO3S — CID 103943146

IUPAC4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide
SMILESCC(C)(C)C(CCO)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO3S/c1-10(2,3)9(5-7-16)15-19(17,18)8-4-6-11(12,13)14/h9,15-16H,4-8H2,1-3H3
InChIKeyIRZHVVKQPFSCHW-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.05
Rot. Bonds7

About 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide

4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide (PubChem CID 103943146) has the molecular formula C11H22F3NO3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide
PubChem CID103943146
Molecular FormulaC11H22F3NO3S
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide
SMILESCC(C)(C)C(CCO)NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO3S/c1-10(2,3)9(5-7-16)15-19(17,18)8-4-6-11(12,13)14/h9,15-16H,4-8H2,1-3H3
InChIKeyIRZHVVKQPFSCHW-UHFFFAOYSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.05
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-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide (CID 103943146) is 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide is CC(C)(C)C(CCO)NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide?
The InChIKey is IRZHVVKQPFSCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO3S/c1-10(2,3)9(5-7-16)15-19(17,18)8-4-6-11(12,13)14/h9,15-16H,4-8H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide?
4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.05, 7 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-(1-hydroxy-4,4-dimethylpentan-3-yl)butane-1-sulfonamide is sourced from PubChem (CID 103943146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).