N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide

C10H5F9N2O3S — CID 122628420

IUPACN-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide
SMILESO=C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccn1
InChIInChI=1S/C10H5F9N2O3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)25(23,24)21-6(22)5-3-1-2-4-20-5/h1-4H,(H,21,22)
InChIKeyDZDCRFDDELMLES-UHFFFAOYSA-N
MW404.21 g/mol
LogP2.57
Rot. Bonds5

About N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide

N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide (PubChem CID 122628420) has the molecular formula C10H5F9N2O3S and a molecular weight of 404.21 g/mol. Its IUPAC name is N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide
PubChem CID122628420
Molecular FormulaC10H5F9N2O3S
Molecular Weight404.21 g/mol
Exact Mass403.99
IUPAC NameN-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide
SMILESO=C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccn1
InChIInChI=1S/C10H5F9N2O3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)25(23,24)21-6(22)5-3-1-2-4-20-5/h1-4H,(H,21,22)
InChIKeyDZDCRFDDELMLES-UHFFFAOYSA-N
XLogP2.57
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methylsulfonylpyridine-2-carboxamide
CID 14952705
N-methylpyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 172678259
N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide
CID 167827408
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-(trifluoromethylsulfonyl)pyridine-2-sulfonamide
CID 118861928
N-(2,2-difluoro-2-phenylethyl)pyridine-2-carboxamide
CID 162399417
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
N-[2-chloro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 158004002
N-[4-(methylsulfonylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 146154862
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-(2-methylprop-2-enoyl)pyridine-2-carboxamide
CID 22568298

Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide (CID 122628420) is N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide is O=C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccn1.
What is the InChIKey of N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide?
The InChIKey is DZDCRFDDELMLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F9N2O3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)25(23,24)21-6(22)5-3-1-2-4-20-5/h1-4H,(H,21,22).
What are the key properties of N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide?
N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide has a molecular weight of 404.21 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 122628420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).