2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide

C12H17F2NO3S — CID 45480006

IUPAC2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
SMILESCC(C)C[C@@H](CO)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H17F2NO3S/c1-8(2)6-9(7-16)15-19(17,18)12-10(13)4-3-5-11(12)14/h3-5,8-9,15-16H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyXWCBGDXKARAWFP-VIFPVBQESA-N
MW293.33 g/mol
LogP1.65
Rot. Bonds6

About 2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide

2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide (PubChem CID 45480006) has the molecular formula C12H17F2NO3S and a molecular weight of 293.33 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
PubChem CID45480006
Molecular FormulaC12H17F2NO3S
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC Name2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
SMILESCC(C)C[C@@H](CO)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H17F2NO3S/c1-8(2)6-9(7-16)15-19(17,18)12-10(13)4-3-5-11(12)14/h3-5,8-9,15-16H,6-7H2,1-2H3/t9-/m0/s1
InChIKeyXWCBGDXKARAWFP-VIFPVBQESA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide (CID 45480006) is 2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide is CC(C)C[C@@H](CO)NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide?
The InChIKey is XWCBGDXKARAWFP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17F2NO3S/c1-8(2)6-9(7-16)15-19(17,18)12-10(13)4-3-5-11(12)14/h3-5,8-9,15-16H,6-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide?
2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide has a molecular weight of 293.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 45480006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).