1,1,1-trifluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide

C4H8F3NO3S — CID 43502099

IUPAC1,1,1-trifluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide
SMILESCC(CO)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c1-3(2-9)8-12(10,11)4(5,6)7/h3,8-9H,2H2,1H3
InChIKeyIEQHANGODAQRTH-UHFFFAOYSA-N
MW207.17 g/mol
LogP-0.19
Rot. Bonds3

About 1,1,1-trifluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide

1,1,1-trifluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide (PubChem CID 43502099) has the molecular formula C4H8F3NO3S and a molecular weight of 207.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide
PubChem CID43502099
Molecular FormulaC4H8F3NO3S
Molecular Weight207.17 g/mol
Exact Mass207.02
IUPAC Name1,1,1-trifluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide
SMILESCC(CO)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO3S/c1-3(2-9)8-12(10,11)4(5,6)7/h3,8-9H,2H2,1H3
InChIKeyIEQHANGODAQRTH-UHFFFAOYSA-N
XLogP-0.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 5-0.19
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-(1-hydroxypropan-2-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide (CID 43502099) is 1,1,1-trifluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide is CC(CO)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide?
The InChIKey is IEQHANGODAQRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO3S/c1-3(2-9)8-12(10,11)4(5,6)7/h3,8-9H,2H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide?
1,1,1-trifluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide has a molecular weight of 207.17 g/mol, XLogP of -0.19, 3 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-(1-hydroxypropan-2-yl)methanesulfonamide is sourced from PubChem (CID 43502099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).