7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane

C16H19ClF3N3O3S — CID 172634829

IUPAC7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
SMILESO=S(=O)(c1ncc(C(F)(F)F)cc1Cl)C1NCC12CN(C1CCOCC1)C2
InChIInChI=1S/C16H19ClF3N3O3S/c17-12-5-10(16(18,19)20)6-21-13(12)27(24,25)14-15(7-22-14)8-23(9-15)11-1-3-26-4-2-11/h5-6,11,14,22H,1-4,7-9H2
InChIKeyQCQOVZAOBFUDDV-UHFFFAOYSA-N
MW425.86 g/mol
LogP1.94
Rot. Bonds3

About 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane

7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane (PubChem CID 172634829) has the molecular formula C16H19ClF3N3O3S and a molecular weight of 425.86 g/mol. Its IUPAC name is 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
PubChem CID172634829
Molecular FormulaC16H19ClF3N3O3S
Molecular Weight425.86 g/mol
Exact Mass425.08
IUPAC Name7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
SMILESO=S(=O)(c1ncc(C(F)(F)F)cc1Cl)C1NCC12CN(C1CCOCC1)C2
InChIInChI=1S/C16H19ClF3N3O3S/c17-12-5-10(16(18,19)20)6-21-13(12)27(24,25)14-15(7-22-14)8-23(9-15)11-1-3-26-4-2-11/h5-6,11,14,22H,1-4,7-9H2
InChIKeyQCQOVZAOBFUDDV-UHFFFAOYSA-N
XLogP1.94
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.86
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane with MolForge

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Related Compounds

7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
CID 176550355
7-[[2-chloro-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
CID 172634874
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
CID 169160933
3-chloro-N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133311648
2-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-6-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
CID 169160962
3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide
CID 167920250
2-[[4-ethyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
CID 170143753
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2766908
3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine
CID 86192063
7-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168906938
(1S,5R)-8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-one
CID 125116837
7-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexyl]-2-thia-7-azaspiro[3.4]octane
CID 168907336

Frequently Asked Questions

What is the IUPAC name of 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane (CID 172634829) is 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane is O=S(=O)(c1ncc(C(F)(F)F)cc1Cl)C1NCC12CN(C1CCOCC1)C2.
What is the InChIKey of 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is QCQOVZAOBFUDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N3O3S/c17-12-5-10(16(18,19)20)6-21-13(12)27(24,25)14-15(7-22-14)8-23(9-15)11-1-3-26-4-2-11/h5-6,11,14,22H,1-4,7-9H2.
What are the key properties of 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 425.86 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-2-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 172634829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).