N-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C10H4F11NO2S — CID 138396373

IUPACN-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F11NO2S/c11-4-1-2-6(5(12)3-4)22-25(23,24)10(20,21)8(15,16)7(13,14)9(17,18)19/h1-3,22H
InChIKeyUJIJCTJJFCYMGG-UHFFFAOYSA-N
MW411.19 g/mol
LogP4.13
Rot. Bonds5

About N-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

N-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 138396373) has the molecular formula C10H4F11NO2S and a molecular weight of 411.19 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID138396373
Molecular FormulaC10H4F11NO2S
Molecular Weight411.19 g/mol
Exact Mass410.98
IUPAC NameN-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F11NO2S/c11-4-1-2-6(5(12)3-4)22-25(23,24)10(20,21)8(15,16)7(13,14)9(17,18)19/h1-3,22H
InChIKeyUJIJCTJJFCYMGG-UHFFFAOYSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.19
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 138396373) is N-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is O=S(=O)(Nc1ccc(F)cc1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is UJIJCTJJFCYMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F11NO2S/c11-4-1-2-6(5(12)3-4)22-25(23,24)10(20,21)8(15,16)7(13,14)9(17,18)19/h1-3,22H.
What are the key properties of N-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
N-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 411.19 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 138396373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).