N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide

C12H18F2N2O2S — CID 106357386

IUPACN-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide
SMILESCC(C)C(CCN)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H18F2N2O2S/c1-8(2)12(5-6-15)16-19(17,18)9-3-4-10(13)11(14)7-9/h3-4,7-8,12,16H,5-6,15H2,1-2H3
InChIKeyCWSPOASBNPLKQI-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.62
Rot. Bonds6

About N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide

N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide (PubChem CID 106357386) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide
PubChem CID106357386
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide
SMILESCC(C)C(CCN)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H18F2N2O2S/c1-8(2)12(5-6-15)16-19(17,18)9-3-4-10(13)11(14)7-9/h3-4,7-8,12,16H,5-6,15H2,1-2H3
InChIKeyCWSPOASBNPLKQI-UHFFFAOYSA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide
CID 114419126
N-(1-bromopropan-2-yl)-3,4-difluorobenzenesulfonamide
CID 114294366
N-(4-bromopentan-2-yl)-3,4-difluorobenzenesulfonamide
CID 113376804
3,4-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 75431301
N-(1-bromo-4-methylpentan-3-yl)-4-fluorobenzenesulfonamide
CID 106356294
methyl 2-[(3,4-difluorophenyl)sulfonylamino]-4-methylpentanoate
CID 43404938
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide
CID 65192522
3-[(4-bromo-3-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 104936328
N-[(3S,6R)-6-(aminomethyl)-2,7-dimethyloctan-3-yl]-4-methylbenzenesulfonamide;N-[(3R,6R)-6-(aminomethyl)-2,7-dimethyloctan-3-yl]-4-methylbenzenesulfonamide;N-[(3S,6S)-6-(aminomethyl)-2,7-dimethyloctan-3-yl]-4-methylbenzenesulfonamide;N-[(3R,6S)-6-(aminomethyl)-2,7-dimethyloctan-3-yl]-4-methylbenzenesulfonamide
CID 162170045
3,4-difluoro-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106898664
4-fluoro-3-methyl-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]benzenesulfonamide
CID 129417000

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide (CID 106357386) is N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide is CC(C)C(CCN)NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide?
The InChIKey is CWSPOASBNPLKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-8(2)12(5-6-15)16-19(17,18)9-3-4-10(13)11(14)7-9/h3-4,7-8,12,16H,5-6,15H2,1-2H3.
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide?
N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 106357386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).