2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide

C12H17F2NO3S — CID 71911251

IUPAC2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO3S/c1-8(2)11(5-6-16)15-19(17,18)12-7-9(13)3-4-10(12)14/h3-4,7-8,11,15-16H,5-6H2,1-2H3
InChIKeyISVGXMZPHVDBGB-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.65
Rot. Bonds6

About 2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide

2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide (PubChem CID 71911251) has the molecular formula C12H17F2NO3S and a molecular weight of 293.33 g/mol. Its IUPAC name is 2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
PubChem CID71911251
Molecular FormulaC12H17F2NO3S
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC Name2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H17F2NO3S/c1-8(2)11(5-6-16)15-19(17,18)12-7-9(13)3-4-10(12)14/h3-4,7-8,11,15-16H,5-6H2,1-2H3
InChIKeyISVGXMZPHVDBGB-UHFFFAOYSA-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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Related Compounds

2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255910
2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 103836214
3-fluoro-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzoic acid
CID 106348582
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
5-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 71911226
N-(1-bromo-3-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide
CID 114294704
N-(1-chloro-4-methylpentan-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 106356414
4-chloro-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79255603
4-amino-2-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 106347954
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide
CID 106348013
N-[(3R)-1-hydroxy-4-methylpentan-3-yl]-4-methylbenzenesulfonamide
CID 97070553

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide (CID 71911251) is 2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide is CC(C)C(CCO)NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is ISVGXMZPHVDBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3S/c1-8(2)11(5-6-16)15-19(17,18)12-7-9(13)3-4-10(12)14/h3-4,7-8,11,15-16H,5-6H2,1-2H3.
What are the key properties of 2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide?
2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-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 2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 71911251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).