2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid

C15H19F3N2O4S — CID 167746137

IUPAC2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid
SMILESO=C(O)C1CCCCCCC1NS(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H19F3N2O4S/c16-15(17,18)13-8-7-10(9-19-13)25(23,24)20-12-6-4-2-1-3-5-11(12)14(21)22/h7-9,11-12,20H,1-6H2,(H,21,22)
InChIKeyFIKNOLFEZLUJAH-UHFFFAOYSA-N
MW380.39 g/mol
LogP2.80
Rot. Bonds4

About 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid

2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid (PubChem CID 167746137) has the molecular formula C15H19F3N2O4S and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid
PubChem CID167746137
Molecular FormulaC15H19F3N2O4S
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC Name2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid
SMILESO=C(O)C1CCCCCCC1NS(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H19F3N2O4S/c16-15(17,18)13-8-7-10(9-19-13)25(23,24)20-12-6-4-2-1-3-5-11(12)14(21)22/h7-9,11-12,20H,1-6H2,(H,21,22)
InChIKeyFIKNOLFEZLUJAH-UHFFFAOYSA-N
XLogP2.80
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 22019722
N-[2-(aminomethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120711162
N-(4-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120722916
2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid
CID 154742702
cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 167750721
2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818390
6-chloro-N-[2-(trifluoromethyl)cyclohexyl]pyridine-3-sulfonamide
CID 60722058
N-(2-cyclopentyl-2-hydroxyethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453653
2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817207
N-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 62359230
2-(thiophen-2-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 64816831
N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120707588

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid?
The IUPAC name of 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid (CID 167746137) is 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid?
The canonical SMILES for 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid is O=C(O)C1CCCCCCC1NS(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid?
The InChIKey is FIKNOLFEZLUJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O4S/c16-15(17,18)13-8-7-10(9-19-13)25(23,24)20-12-6-4-2-1-3-5-11(12)14(21)22/h7-9,11-12,20H,1-6H2,(H,21,22).
What are the key properties of 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid?
2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid has a molecular weight of 380.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 167746137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).