2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide

C9H10F3NO3S — CID 118472275

IUPAC2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C(C(O)F)C(F)F
InChIInChI=1S/C9H10F3NO3S/c10-8(11)7(9(12)14)5-3-1-2-4-6(5)17(13,15)16/h1-4,7-9,14H,(H2,13,15,16)
InChIKeySAUXQUKSPMJIGZ-UHFFFAOYSA-N
MW269.24 g/mol
LogP0.97
Rot. Bonds4

About 2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide

2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 118472275) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is 2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID118472275
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C(C(O)F)C(F)F
InChIInChI=1S/C9H10F3NO3S/c10-8(11)7(9(12)14)5-3-1-2-4-6(5)17(13,15)16/h1-4,7-9,14H,(H2,13,15,16)
InChIKeySAUXQUKSPMJIGZ-UHFFFAOYSA-N
XLogP0.97
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide (CID 118472275) is 2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccccc1C(C(O)F)C(F)F.
What is the InChIKey of 2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is SAUXQUKSPMJIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c10-8(11)7(9(12)14)5-3-1-2-4-6(5)17(13,15)16/h1-4,7-9,14H,(H2,13,15,16).
What are the key properties of 2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide?
2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 269.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3-trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 118472275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).