5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide

C9H10ClF4N3O2S — CID 106295502

IUPAC5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCC(F)(F)C(F)F)cc1Cl
InChIInChI=1S/C9H10ClF4N3O2S/c1-15-7-6(10)2-5(3-16-7)20(18,19)17-4-9(13,14)8(11)12/h2-3,8,17H,4H2,1H3,(H,15,16)
InChIKeyAAAQFDBKUUGCHQ-UHFFFAOYSA-N
MW335.71 g/mol
LogP1.96
Rot. Bonds6

About 5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide

5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide (PubChem CID 106295502) has the molecular formula C9H10ClF4N3O2S and a molecular weight of 335.71 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
PubChem CID106295502
Molecular FormulaC9H10ClF4N3O2S
Molecular Weight335.71 g/mol
Exact Mass335.01
IUPAC Name5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCC(F)(F)C(F)F)cc1Cl
InChIInChI=1S/C9H10ClF4N3O2S/c1-15-7-6(10)2-5(3-16-7)20(18,19)17-4-9(13,14)8(11)12/h2-3,8,17H,4H2,1H3,(H,15,16)
InChIKeyAAAQFDBKUUGCHQ-UHFFFAOYSA-N
XLogP1.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.71
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
CID 64602290
5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide
CID 64602106
5-chloro-N-(2-cyclopentylethyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64600883
5-chloro-6-(methylamino)-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64607176
5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64607730
5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
CID 106293639
4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride
CID 106292510
5-chloro-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601125
5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 80685568
2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 64601658
5-chloro-6-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-sulfonamide
CID 106407765
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide (CID 106295502) is 5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)NCC(F)(F)C(F)F)cc1Cl.
What is the InChIKey of 5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide?
The InChIKey is AAAQFDBKUUGCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF4N3O2S/c1-15-7-6(10)2-5(3-16-7)20(18,19)17-4-9(13,14)8(11)12/h2-3,8,17H,4H2,1H3,(H,15,16).
What are the key properties of 5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide?
5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide has a molecular weight of 335.71 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106295502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).