2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide

C11H14F3NO5S — CID 136585269

IUPAC2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide
SMILESC[C@H](CO)N(C)S(=O)(=O)c1c(O)cccc1OC(F)(F)F
InChIInChI=1S/C11H14F3NO5S/c1-7(6-16)15(2)21(18,19)10-8(17)4-3-5-9(10)20-11(12,13)14/h3-5,7,16-17H,6H2,1-2H3/t7-/m1/s1
InChIKeyHBACHNXSQPGFIJ-SSDOTTSWSA-N
MW329.30 g/mol
LogP1.29
Rot. Bonds5

About 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide

2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide (PubChem CID 136585269) has the molecular formula C11H14F3NO5S and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide
PubChem CID136585269
Molecular FormulaC11H14F3NO5S
Molecular Weight329.30 g/mol
Exact Mass329.05
IUPAC Name2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide
SMILESC[C@H](CO)N(C)S(=O)(=O)c1c(O)cccc1OC(F)(F)F
InChIInChI=1S/C11H14F3NO5S/c1-7(6-16)15(2)21(18,19)10-8(17)4-3-5-9(10)20-11(12,13)14/h3-5,7,16-17H,6H2,1-2H3/t7-/m1/s1
InChIKeyHBACHNXSQPGFIJ-SSDOTTSWSA-N
XLogP1.29
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide (CID 136585269) is 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide is C[C@H](CO)N(C)S(=O)(=O)c1c(O)cccc1OC(F)(F)F.
What is the InChIKey of 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is HBACHNXSQPGFIJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14F3NO5S/c1-7(6-16)15(2)21(18,19)10-8(17)4-3-5-9(10)20-11(12,13)14/h3-5,7,16-17H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide?
2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 329.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-N-methyl-6-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 136585269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).