N-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide

C13H23F4NO3S — CID 57317252

IUPACN-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)N(C)C(F)(F)C(F)(F)C(C)=O
InChIInChI=1S/C13H23F4NO3S/c1-4-5-6-7-8-9-10-22(20,21)18(3)13(16,17)12(14,15)11(2)19/h4-10H2,1-3H3
InChIKeyJRCCHNZSLRRONN-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.43
Rot. Bonds11

About N-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide

N-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide (PubChem CID 57317252) has the molecular formula C13H23F4NO3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide
PubChem CID57317252
Molecular FormulaC13H23F4NO3S
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC NameN-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)N(C)C(F)(F)C(F)(F)C(C)=O
InChIInChI=1S/C13H23F4NO3S/c1-4-5-6-7-8-9-10-22(20,21)18(3)13(16,17)12(14,15)11(2)19/h4-10H2,1-3H3
InChIKeyJRCCHNZSLRRONN-UHFFFAOYSA-N
XLogP3.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 19907538
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(2S)-2-methyl-2-[methyl(pentylsulfonyl)amino]butanedioic acid
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N-butylsulfonyl-N-methylhexane-1-sulfonamide
CID 167138373
N-ethyl-N-methylheptane-1-sulfonamide
CID 131966885
N-ethyl-N-octyloctane-1-sulfonamide
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N,N-dioctyldodecane-1-sulfonamide
CID 15510197
tricosane;trifluoromethanesulfonic acid
CID 161255361
N-fluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
CID 174490658
N,N-diaminopentane-1-sulfonamide
CID 88729680
1-dodecylsulfonyl-3-ethyl-1-(ethylcarbamoylamino)urea
CID 54162927
decylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59998584

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide?
The IUPAC name of N-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide (CID 57317252) is N-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide?
The canonical SMILES for N-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide is CCCCCCCCS(=O)(=O)N(C)C(F)(F)C(F)(F)C(C)=O.
What is the InChIKey of N-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide?
The InChIKey is JRCCHNZSLRRONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F4NO3S/c1-4-5-6-7-8-9-10-22(20,21)18(3)13(16,17)12(14,15)11(2)19/h4-10H2,1-3H3.
What are the key properties of N-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide?
N-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide has a molecular weight of 349.39 g/mol, XLogP of 3.43, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,1,2,2-tetrafluoro-3-oxobutyl)octane-1-sulfonamide is sourced from PubChem (CID 57317252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).