3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide

C11H24FNO3S — CID 109379658

IUPAC3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide
SMILESCC(C)C(O)C(C)(C)CNS(=O)(=O)CCCF
InChIInChI=1S/C11H24FNO3S/c1-9(2)10(14)11(3,4)8-13-17(15,16)7-5-6-12/h9-10,13-14H,5-8H2,1-4H3
InChIKeyVAWVSULEJPQIHL-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.31
Rot. Bonds8

About 3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide

3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide (PubChem CID 109379658) has the molecular formula C11H24FNO3S and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide
PubChem CID109379658
Molecular FormulaC11H24FNO3S
Molecular Weight269.38 g/mol
Exact Mass269.15
IUPAC Name3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide
SMILESCC(C)C(O)C(C)(C)CNS(=O)(=O)CCCF
InChIInChI=1S/C11H24FNO3S/c1-9(2)10(14)11(3,4)8-13-17(15,16)7-5-6-12/h9-10,13-14H,5-8H2,1-4H3
InChIKeyVAWVSULEJPQIHL-UHFFFAOYSA-N
XLogP1.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide (CID 109379658) is 3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide is CC(C)C(O)C(C)(C)CNS(=O)(=O)CCCF.
What is the InChIKey of 3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide?
The InChIKey is VAWVSULEJPQIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO3S/c1-9(2)10(14)11(3,4)8-13-17(15,16)7-5-6-12/h9-10,13-14H,5-8H2,1-4H3.
What are the key properties of 3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide?
3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide has a molecular weight of 269.38 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)propane-1-sulfonamide is sourced from PubChem (CID 109379658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).