N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide

C9H12F2N2O2S — CID 104873374

IUPACN-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
SMILESC[C@H](CN)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C9H12F2N2O2S/c1-6(5-12)13-16(14,15)7-2-3-8(10)9(11)4-7/h2-4,6,13H,5,12H2,1H3/t6-/m1/s1
InChIKeySFYGNVFIUQGZKX-ZCFIWIBFSA-N
MW250.27 g/mol
LogP0.59
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide

N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide (PubChem CID 104873374) has the molecular formula C9H12F2N2O2S and a molecular weight of 250.27 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
PubChem CID104873374
Molecular FormulaC9H12F2N2O2S
Molecular Weight250.27 g/mol
Exact Mass250.06
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
SMILESC[C@H](CN)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C9H12F2N2O2S/c1-6(5-12)13-16(14,15)7-2-3-8(10)9(11)4-7/h2-4,6,13H,5,12H2,1H3/t6-/m1/s1
InChIKeySFYGNVFIUQGZKX-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

N-(1-bromopropan-2-yl)-3,4-difluorobenzenesulfonamide
CID 114294366
N-(4-bromopentan-2-yl)-3,4-difluorobenzenesulfonamide
CID 113376804
N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide
CID 106357386
N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 63731769
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
3-(aminomethyl)-4-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 55172499
N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide
CID 114419126
3-(aminomethyl)-N-(1-ethylsulfanylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 106083184
3-(aminomethyl)-N-(1-ethoxypropan-2-yl)-4-fluorobenzenesulfonamide
CID 63288410
N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide
CID 63732823
methyl 2-[(3,4-difluorophenyl)sulfonylamino]-4-methylpentanoate
CID 43404938
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide (CID 104873374) is N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide is C[C@H](CN)NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide?
The InChIKey is SFYGNVFIUQGZKX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12F2N2O2S/c1-6(5-12)13-16(14,15)7-2-3-8(10)9(11)4-7/h2-4,6,13H,5,12H2,1H3/t6-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide?
N-[(2R)-1-aminopropan-2-yl]-3,4-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]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 104873374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).