3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide

C9H7ClF6N2O2S — CID 167920250

IUPAC3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF6N2O2S/c10-6-3-5(9(14,15)16)4-17-7(6)21(19,20)18-2-1-8(11,12)13/h3-4,18H,1-2H2
InChIKeyZHYHGDBASWMESQ-UHFFFAOYSA-N
MW356.68 g/mol
LogP2.98
Rot. Bonds4

About 3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide

3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide (PubChem CID 167920250) has the molecular formula C9H7ClF6N2O2S and a molecular weight of 356.68 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide
PubChem CID167920250
Molecular FormulaC9H7ClF6N2O2S
Molecular Weight356.68 g/mol
Exact Mass355.98
IUPAC Name3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF6N2O2S/c10-6-3-5(9(14,15)16)4-17-7(6)21(19,20)18-2-1-8(11,12)13/h3-4,18H,1-2H2
InChIKeyZHYHGDBASWMESQ-UHFFFAOYSA-N
XLogP2.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.68
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
CID 64602290
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 167891939
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-fluorobenzenesulfonamide
CID 3710970
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 3847361
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2,6-difluorobenzenesulfonamide
CID 35405703
3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine
CID 86192063
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide
CID 63227725
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26530235
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
5-chloro-1-methyl-N-(4,4,4-trifluorobutyl)imidazole-4-sulfonamide
CID 79040358

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide?
The IUPAC name of 3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide (CID 167920250) is 3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide is O=S(=O)(NCCC(F)(F)F)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide?
The InChIKey is ZHYHGDBASWMESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF6N2O2S/c10-6-3-5(9(14,15)16)4-17-7(6)21(19,20)18-2-1-8(11,12)13/h3-4,18H,1-2H2.
What are the key properties of 3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide?
3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide has a molecular weight of 356.68 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide is sourced from PubChem (CID 167920250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).