N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide

C15H14F3NO3S — CID 97325999

IUPACN-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)[C@H](O)c1c(F)cccc1F
InChIInChI=1S/C15H14F3NO3S/c1-9(15(20)14-11(17)6-4-7-12(14)18)19-23(21,22)13-8-3-2-5-10(13)16/h2-9,15,19-20H,1H3/t9-,15-/m0/s1
InChIKeyWDCJZBDUPATWLY-VFZGTOFNSA-N
MW345.34 g/mol
LogP2.50
Rot. Bonds5

About N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide

N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide (PubChem CID 97325999) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
PubChem CID97325999
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC NameN-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1F)[C@H](O)c1c(F)cccc1F
InChIInChI=1S/C15H14F3NO3S/c1-9(15(20)14-11(17)6-4-7-12(14)18)19-23(21,22)13-8-3-2-5-10(13)16/h2-9,15,19-20H,1H3/t9-,15-/m0/s1
InChIKeyWDCJZBDUPATWLY-VFZGTOFNSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide
CID 97326001
3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 113415917
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
N-but-3-yn-2-yl-2-fluorobenzenesulfonamide
CID 114416427
N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide
CID 17394762
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 24539850
1-(2,6-difluorophenyl)-2-methylsulfonylpropan-1-ol
CID 115799713
(2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 40608062
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507
5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683197
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide (CID 97325999) is N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide is C[C@H](NS(=O)(=O)c1ccccc1F)[C@H](O)c1c(F)cccc1F.
What is the InChIKey of N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide?
The InChIKey is WDCJZBDUPATWLY-VFZGTOFNSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-9(15(20)14-11(17)6-4-7-12(14)18)19-23(21,22)13-8-3-2-5-10(13)16/h2-9,15,19-20H,1H3/t9-,15-/m0/s1.
What are the key properties of N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide?
N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide has a molecular weight of 345.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(2,6-difluorophenyl)-1-hydroxypropan-2-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 97325999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).