2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

C9H10F3NO3S — CID 83030525

IUPAC2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H10F3NO3S/c1-5(14)4-13-17(15,16)9-7(11)2-6(10)3-8(9)12/h2-3,5,13-14H,4H2,1H3/t5-/m1/s1
InChIKeyHUJOXIZJBAEAOZ-RXMQYKEDSA-N
MW269.24 g/mol
LogP0.76
Rot. Bonds4

About 2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 83030525) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
PubChem CID83030525
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC Name2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H10F3NO3S/c1-5(14)4-13-17(15,16)9-7(11)2-6(10)3-8(9)12/h2-3,5,13-14H,4H2,1H3/t5-/m1/s1
InChIKeyHUJOXIZJBAEAOZ-RXMQYKEDSA-N
XLogP0.76
TPSA66.40 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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide
CID 47358735
N-(2,3-dihydroxypropyl)-2,4,6-trifluorobenzenesulfonamide
CID 66175412
2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825089
N-(4-bromo-2-methylbutyl)-2,4,6-trifluorobenzenesulfonamide
CID 113271251
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
3-amino-4-fluoro-N-[(2R)-2-hydroxypropyl]-2,6-dimethylbenzenesulfonamide
CID 107326349
2-[[(2,4,6-trifluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 65223007
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
2,4,6-trifluoro-N-propylbenzenesulfonamide
CID 60971458
2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 106125988
4-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107328351
N-(cyanomethyl)-2,4,6-trifluorobenzenesulfonamide
CID 60972331

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide (CID 83030525) is 2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide is C[C@@H](O)CNS(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is HUJOXIZJBAEAOZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c1-5(14)4-13-17(15,16)9-7(11)2-6(10)3-8(9)12/h2-3,5,13-14H,4H2,1H3/t5-/m1/s1.
What are the key properties of 2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 269.24 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 83030525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).