N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide

C4HF10NO2S — CID 22033855

IUPACN,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide
SMILESO=S(=O)(NF)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF10NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)18(16,17)15-14/h15H
InChIKeyQKJFMRDYFRELLN-UHFFFAOYSA-N
MW317.10 g/mol
LogP2.22
Rot. Bonds4

About N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide

N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide (PubChem CID 22033855) has the molecular formula C4HF10NO2S and a molecular weight of 317.10 g/mol. Its IUPAC name is N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide
PubChem CID22033855
Molecular FormulaC4HF10NO2S
Molecular Weight317.10 g/mol
Exact Mass316.96
IUPAC NameN,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide
SMILESO=S(=O)(NF)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF10NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)18(16,17)15-14/h15H
InChIKeyQKJFMRDYFRELLN-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.10
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Perfluorohexanesulfonamide
CID 11603678
Perfluorobutane sulfonamide
CID 10958205
Pentafluoroethanesulfonamide
CID 11252905
Heptafluoropropane-1-sulfonamide
CID 21692167
1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, ammonium salt (1:1)
CID 163207
1,1,2,2,3,3,4,4,4-nonafluoro-N-hydroxybutane-1-sulfonamide
CID 23645539
Perfluoropentane sulfonamide
CID 87793813
Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Sodium perfluorobutane sulfonamide
CID 10958204
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
Potassium (perfluorobutanesulfonyl)azanide
CID 141294936
1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 59703058

Frequently Asked Questions

What is the IUPAC name of N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide?
The IUPAC name of N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide (CID 22033855) is N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide.
What is the SMILES notation for N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide?
The canonical SMILES for N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide is O=S(=O)(NF)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide?
The InChIKey is QKJFMRDYFRELLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF10NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)18(16,17)15-14/h15H.
What are the key properties of N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide?
N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide has a molecular weight of 317.10 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide is sourced from PubChem (CID 22033855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).