1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide

C5H10F3NO3S — CID 83188387

IUPAC1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide
SMILESCC(CCO)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-4(2-3-10)9-13(11,12)5(6,7)8/h4,9-10H,2-3H2,1H3
InChIKeyJQFQLQIETLYUHR-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.20
Rot. Bonds4

About 1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide

1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide (PubChem CID 83188387) has the molecular formula C5H10F3NO3S and a molecular weight of 221.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide
PubChem CID83188387
Molecular FormulaC5H10F3NO3S
Molecular Weight221.20 g/mol
Exact Mass221.03
IUPAC Name1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide
SMILESCC(CCO)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-4(2-3-10)9-13(11,12)5(6,7)8/h4,9-10H,2-3H2,1H3
InChIKeyJQFQLQIETLYUHR-UHFFFAOYSA-N
XLogP0.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide (CID 83188387) is 1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide is CC(CCO)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide?
The InChIKey is JQFQLQIETLYUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO3S/c1-4(2-3-10)9-13(11,12)5(6,7)8/h4,9-10H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide?
1,1,1-trifluoro-N-(4-hydroxybutan-2-yl)methanesulfonamide has a molecular weight of 221.20 g/mol, XLogP of 0.20, 4 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-(4-hydroxybutan-2-yl)methanesulfonamide is sourced from PubChem (CID 83188387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).