N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide

C11H16F3N2O3PS — CID 166295575

IUPACN-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCP(C)(=O)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H16F3N2O3PS/c1-20(2,17)7-3-6-16-21(18,19)10-5-4-9(8-15-10)11(12,13)14/h4-5,8,16H,3,6-7H2,1-2H3
InChIKeyHHZAPTOGXLTFHN-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.39
Rot. Bonds6

About N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide

N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 166295575) has the molecular formula C11H16F3N2O3PS and a molecular weight of 344.30 g/mol. Its IUPAC name is N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID166295575
Molecular FormulaC11H16F3N2O3PS
Molecular Weight344.30 g/mol
Exact Mass344.06
IUPAC NameN-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCP(C)(=O)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H16F3N2O3PS/c1-20(2,17)7-3-6-16-21(18,19)10-5-4-9(8-15-10)11(12,13)14/h4-5,8,16H,3,6-7H2,1-2H3
InChIKeyHHZAPTOGXLTFHN-UHFFFAOYSA-N
XLogP2.39
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide
CID 115522827
4-propan-2-yl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide
CID 46861630
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide
CID 166231144
methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
CID 2800689
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanoic acid
CID 5101803
2-methyl-N-(3-phenylpropyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 57388955
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetonitrile
CID 2820801
6-[(5-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 106156055
2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine
CID 167877569
N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 143347423
N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 2801233

Frequently Asked Questions

What is the IUPAC name of N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide (CID 166295575) is N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide is CP(C)(=O)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is HHZAPTOGXLTFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N2O3PS/c1-20(2,17)7-3-6-16-21(18,19)10-5-4-9(8-15-10)11(12,13)14/h4-5,8,16H,3,6-7H2,1-2H3.
What are the key properties of N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide?
N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide has a molecular weight of 344.30 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 166295575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).