3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide

C13H15F3N2O3S — CID 166231144

IUPAC3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide
SMILESCC(CC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C13H15F3N2O3S/c1-8(9-2-3-9)6-11(19)18-22(20,21)12-5-4-10(7-17-12)13(14,15)16/h4-5,7-9H,2-3,6H2,1H3,(H,18,19)
InChIKeyUZKQZNDMVVVIKV-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.34
Rot. Bonds5

About 3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide

3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide (PubChem CID 166231144) has the molecular formula C13H15F3N2O3S and a molecular weight of 336.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide
PubChem CID166231144
Molecular FormulaC13H15F3N2O3S
Molecular Weight336.34 g/mol
Exact Mass336.08
IUPAC Name3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide
SMILESCC(CC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C13H15F3N2O3S/c1-8(9-2-3-9)6-11(19)18-22(20,21)12-5-4-10(7-17-12)13(14,15)16/h4-5,7-9H,2-3,6H2,1H3,(H,18,19)
InChIKeyUZKQZNDMVVVIKV-UHFFFAOYSA-N
XLogP2.34
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyloxy-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide
CID 99707391
(1R,2R,4R)-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 100633749
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanoic acid
CID 5101803
methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
CID 2800689
(5-tert-butyl-2-pyridinyl)sulfonylcarbamic acid
CID 164566528
N-(3-propanoylphenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 143347423
N-(3-dimethylphosphorylpropyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
CID 166295575
2-naphthalen-2-yl-3-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 142054275
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 105117081
3-cyclopropyl-3-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
CID 114908376
N-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide
CID 91646432

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide?
The IUPAC name of 3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide (CID 166231144) is 3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide.
What is the SMILES notation for 3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide?
The canonical SMILES for 3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide is CC(CC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cn1)C1CC1.
What is the InChIKey of 3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide?
The InChIKey is UZKQZNDMVVVIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3S/c1-8(9-2-3-9)6-11(19)18-22(20,21)12-5-4-10(7-17-12)13(14,15)16/h4-5,7-9H,2-3,6H2,1H3,(H,18,19).
What are the key properties of 3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide?
3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide has a molecular weight of 336.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]butanamide is sourced from PubChem (CID 166231144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).