N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide

C9H12F2N2O2S — CID 104873280

IUPACN-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
SMILESC[C@H](CN)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C9H12F2N2O2S/c1-6(5-12)13-16(14,15)9-4-7(10)2-3-8(9)11/h2-4,6,13H,5,12H2,1H3/t6-/m1/s1
InChIKeyVCUPKAXKFUMAQE-ZCFIWIBFSA-N
MW250.27 g/mol
LogP0.59
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide

N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide (PubChem CID 104873280) has the molecular formula C9H12F2N2O2S and a molecular weight of 250.27 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
PubChem CID104873280
Molecular FormulaC9H12F2N2O2S
Molecular Weight250.27 g/mol
Exact Mass250.06
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
SMILESC[C@H](CN)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C9H12F2N2O2S/c1-6(5-12)13-16(14,15)9-4-7(10)2-3-8(9)11/h2-4,6,13H,5,12H2,1H3/t6-/m1/s1
InChIKeyVCUPKAXKFUMAQE-ZCFIWIBFSA-N
XLogP0.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934796
N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 63731769
N-[(2R)-1-aminopropan-2-yl]-4-fluoro-2-nitrobenzenesulfonamide
CID 98542426
2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255910
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119983602
2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 71911251
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 114141046

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide (CID 104873280) is N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide is C[C@H](CN)NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide?
The InChIKey is VCUPKAXKFUMAQE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12F2N2O2S/c1-6(5-12)13-16(14,15)9-4-7(10)2-3-8(9)11/h2-4,6,13H,5,12H2,1H3/t6-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide?
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide has a molecular weight of 250.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 104873280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).