2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide

C11H15F2NO3S — CID 79255910

IUPAC2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@@H](CO)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO3S/c1-7(2)10(6-15)14-18(16,17)11-5-8(12)3-4-9(11)13/h3-5,7,10,14-15H,6H2,1-2H3/t10-/m1/s1
InChIKeyOIPWWZYNBHNQPH-SNVBAGLBSA-N
MW279.31 g/mol
LogP1.26
Rot. Bonds5

About 2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide

2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide (PubChem CID 79255910) has the molecular formula C11H15F2NO3S and a molecular weight of 279.31 g/mol. Its IUPAC name is 2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
PubChem CID79255910
Molecular FormulaC11H15F2NO3S
Molecular Weight279.31 g/mol
Exact Mass279.07
IUPAC Name2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(C)[C@@H](CO)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO3S/c1-7(2)10(6-15)14-18(16,17)11-5-8(12)3-4-9(11)13/h3-5,7,10,14-15H,6H2,1-2H3/t10-/m1/s1
InChIKeyOIPWWZYNBHNQPH-SNVBAGLBSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 71911251
5-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 71911226
4-chloro-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79255603
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79254992
N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide
CID 79246647
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
N-(1-bromo-3-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide
CID 114294704
5-amino-4-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 104889698
2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106491907
2,4-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-nitrobenzenesulfonamide
CID 79245919
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide (CID 79255910) is 2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide is CC(C)[C@@H](CO)NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide?
The InChIKey is OIPWWZYNBHNQPH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15F2NO3S/c1-7(2)10(6-15)14-18(16,17)11-5-8(12)3-4-9(11)13/h3-5,7,10,14-15H,6H2,1-2H3/t10-/m1/s1.
What are the key properties of 2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide?
2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide has a molecular weight of 279.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 79255910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).