(NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

C11H6F9NO2S — CID 11653924

IUPAC(NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESO=S(=O)(/N=C/c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H6F9NO2S/c12-8(13,10(16,17)18)9(14,15)11(19,20)24(22,23)21-6-7-4-2-1-3-5-7/h1-6H/b21-6+
InChIKeyWWNRBTXKNVQEFZ-AERZKKPOSA-N
MW387.22 g/mol
LogP3.86
Rot. Bonds5

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

(NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (PubChem CID 11653924) has the molecular formula C11H6F9NO2S and a molecular weight of 387.22 g/mol. Its IUPAC name is (NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.

Molecular Properties

Compound Name(NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
PubChem CID11653924
Molecular FormulaC11H6F9NO2S
Molecular Weight387.22 g/mol
Exact Mass387.00
IUPAC Name(NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
SMILESO=S(=O)(/N=C/c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H6F9NO2S/c12-8(13,10(16,17)18)9(14,15)11(19,20)24(22,23)21-6-7-4-2-1-3-5-7/h1-6H/b21-6+
InChIKeyWWNRBTXKNVQEFZ-AERZKKPOSA-N
XLogP3.86
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4,4-nonafluorobutyl(triphenyl)-λ4-sulfane
CID 175593186
(NE)-N-benzylidene-4-(trifluoromethyl)benzenesulfonamide
CID 23240617
(triphenyl-lambda4-sulfanyl) 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 12067461
N-[[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 2760734
CID 175862337
CID 175862337
[N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)anilino] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 87902046
diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 22339024
diphenylphosphane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 171922780
1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3E,5E)-6-phenylhexa-3,5-dienyl]butane-1-sulfonamide
CID 101344890
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;trimethyl(phenyl)azanium
CID 87848212
ethyl (E)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)-3-phenylprop-2-enoate
CID 23236901
N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propylidene]benzenesulfonamide
CID 155672633

Frequently Asked Questions

What is the IUPAC name of (NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The IUPAC name of (NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide (CID 11653924) is (NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide.
What is the SMILES notation for (NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The canonical SMILES for (NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is O=S(=O)(/N=C/c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
The InChIKey is WWNRBTXKNVQEFZ-AERZKKPOSA-N. The full InChI is InChI=1S/C11H6F9NO2S/c12-8(13,10(16,17)18)9(14,15)11(19,20)24(22,23)21-6-7-4-2-1-3-5-7/h1-6H/b21-6+.
What are the key properties of (NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide?
(NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide has a molecular weight of 387.22 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide is sourced from PubChem (CID 11653924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).