5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide

C8H7ClF4N2O3S — CID 106293639

IUPAC5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NCC(F)(F)C(F)F)cc1Cl
InChIInChI=1S/C8H7ClF4N2O3S/c9-5-1-4(2-14-6(5)16)19(17,18)15-3-8(12,13)7(10)11/h1-2,7,15H,3H2,(H,14,16)
InChIKeyPAEJHIKJQYDCFC-UHFFFAOYSA-N
MW322.67 g/mol
LogP1.21
Rot. Bonds5

About 5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide

5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide (PubChem CID 106293639) has the molecular formula C8H7ClF4N2O3S and a molecular weight of 322.67 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
PubChem CID106293639
Molecular FormulaC8H7ClF4N2O3S
Molecular Weight322.67 g/mol
Exact Mass321.98
IUPAC Name5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NCC(F)(F)C(F)F)cc1Cl
InChIInChI=1S/C8H7ClF4N2O3S/c9-5-1-4(2-14-6(5)16)19(17,18)15-3-8(12,13)7(10)11/h1-2,7,15H,3H2,(H,14,16)
InChIKeyPAEJHIKJQYDCFC-UHFFFAOYSA-N
XLogP1.21
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.67
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-6-oxo-1,6-dihydropyridine-3-sulfonamide
CID 64607667
6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 43629159
N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 60890469
6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-sulfonamide
CID 63227421
5-chloro-6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 64606163
5-chloro-N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 64606737
5-chloro-6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 64606738
5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 64607138
5-chloro-N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 64607139
5-chloro-6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-sulfonamide
CID 64607147
5-chloro-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-sulfonamide
CID 64607150
5-chloro-N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 64608262

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide (CID 106293639) is 5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide is O=c1[nH]cc(S(=O)(=O)NCC(F)(F)C(F)F)cc1Cl.
What is the InChIKey of 5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide?
The InChIKey is PAEJHIKJQYDCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF4N2O3S/c9-5-1-4(2-14-6(5)16)19(17,18)15-3-8(12,13)7(10)11/h1-2,7,15H,3H2,(H,14,16).
What are the key properties of 5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide?
5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide has a molecular weight of 322.67 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 106293639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).