N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide

C8H17F3N2O4S2 — CID 170039874

IUPACN-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCC(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H17F3N2O4S2/c1-6(2)12-18(14,15)5-4-7(3)13-19(16,17)8(9,10)11/h6-7,12-13H,4-5H2,1-3H3
InChIKeyXUEJEXOSQATWPU-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.53
Rot. Bonds7

About N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide

N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide (PubChem CID 170039874) has the molecular formula C8H17F3N2O4S2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide
PubChem CID170039874
Molecular FormulaC8H17F3N2O4S2
Molecular Weight326.36 g/mol
Exact Mass326.06
IUPAC NameN-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide
SMILESCC(C)NS(=O)(=O)CCC(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H17F3N2O4S2/c1-6(2)12-18(14,15)5-4-7(3)13-19(16,17)8(9,10)11/h6-7,12-13H,4-5H2,1-3H3
InChIKeyXUEJEXOSQATWPU-UHFFFAOYSA-N
XLogP0.53
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 79027896
3-hydroxy-N-propan-2-ylpropane-1-sulfonamide
CID 64982777
N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
CID 78998841
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide
CID 158263815
1,1,1-trifluoro-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butyl]amino]butan-2-yl]methanesulfonamide
CID 11004890
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 134861731
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 64603456
N-(4-hydroxybutan-2-yl)-2-methylsulfonylethanesulfonamide
CID 115477904
N-[(2S)-1-[bis[(2S)-3-methyl-2-(trifluoromethylsulfonylamino)butyl]amino]-3-methylbutan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 23251554
dimethyl (2S,3R)-2,3-bis(trifluoromethylsulfonylamino)butanedioate
CID 102512577

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide?
The IUPAC name of N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide (CID 170039874) is N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide.
What is the SMILES notation for N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide?
The canonical SMILES for N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide is CC(C)NS(=O)(=O)CCC(C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide?
The InChIKey is XUEJEXOSQATWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O4S2/c1-6(2)12-18(14,15)5-4-7(3)13-19(16,17)8(9,10)11/h6-7,12-13H,4-5H2,1-3H3.
What are the key properties of N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide?
N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide has a molecular weight of 326.36 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(trifluoromethylsulfonylamino)butane-1-sulfonamide is sourced from PubChem (CID 170039874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).