2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

C9H11F2NO3S — CID 79027694

IUPAC2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C9H11F2NO3S/c1-6(5-13)12-16(14,15)9-7(10)3-2-4-8(9)11/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1
InChIKeyGVQNKRDWQGPXIC-ZCFIWIBFSA-N
MW251.25 g/mol
LogP0.62
Rot. Bonds4

About 2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (PubChem CID 79027694) has the molecular formula C9H11F2NO3S and a molecular weight of 251.25 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
PubChem CID79027694
Molecular FormulaC9H11F2NO3S
Molecular Weight251.25 g/mol
Exact Mass251.04
IUPAC Name2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C9H11F2NO3S/c1-6(5-13)12-16(14,15)9-7(10)3-2-4-8(9)11/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1
InChIKeyGVQNKRDWQGPXIC-ZCFIWIBFSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 3854345
2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide
CID 3710669
2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502170
methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 113257628
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 78975684
N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide
CID 8817126
(2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935044
methyl 2-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoate
CID 25039001
2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012952
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (CID 79027694) is 2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide is C[C@H](CO)NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The InChIKey is GVQNKRDWQGPXIC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11F2NO3S/c1-6(5-13)12-16(14,15)9-7(10)3-2-4-8(9)11/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1.
What are the key properties of 2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide has a molecular weight of 251.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 79027694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).