N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide

C12H18F2N2O2S — CID 106165234

IUPACN-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide
SMILESCCC(C)(CCN)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H18F2N2O2S/c1-3-12(2,6-7-15)16-19(17,18)11-8-9(13)4-5-10(11)14/h4-5,8,16H,3,6-7,15H2,1-2H3
InChIKeyLVGFOLIGDBQYAB-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.76
Rot. Bonds6

About N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide

N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide (PubChem CID 106165234) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide
PubChem CID106165234
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC NameN-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide
SMILESCCC(C)(CCN)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H18F2N2O2S/c1-3-12(2,6-7-15)16-19(17,18)11-8-9(13)4-5-10(11)14/h4-5,8,16H,3,6-7,15H2,1-2H3
InChIKeyLVGFOLIGDBQYAB-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide
CID 61133614
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
N-(1-amino-3-methylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 106165227
4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165228
N-(1-chloro-2-methylbutan-2-yl)-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 65032315
methyl 4-fluoro-2-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]benzoate
CID 102919553
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
3-chloro-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169609
N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide
CID 106165353
N-(1-chloro-3-methylpentan-3-yl)-2,4,6-trifluorobenzenesulfonamide
CID 106170164
(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-2-phenylpropanamide
CID 94812462
5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide
CID 28718664

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide (CID 106165234) is N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide is CCC(C)(CCN)NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide?
The InChIKey is LVGFOLIGDBQYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-3-12(2,6-7-15)16-19(17,18)11-8-9(13)4-5-10(11)14/h4-5,8,16H,3,6-7,15H2,1-2H3.
What are the key properties of N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide?
N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 106165234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).