2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane

C19H25FN4O2S — CID 146071012

IUPAC2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane
SMILESCCCc1nc(C2CN(S(=O)(=O)c3ccc(F)cc3)CC23CCCC3)n[nH]1
InChIInChI=1S/C19H25FN4O2S/c1-2-5-17-21-18(23-22-17)16-12-24(13-19(16)10-3-4-11-19)27(25,26)15-8-6-14(20)7-9-15/h6-9,16H,2-5,10-13H2,1H3,(H,21,22,23)
InChIKeyUXWCRBBGUKOROW-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.24
Rot. Bonds5

About 2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane

2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane (PubChem CID 146071012) has the molecular formula C19H25FN4O2S and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane
PubChem CID146071012
Molecular FormulaC19H25FN4O2S
Molecular Weight392.50 g/mol
Exact Mass392.17
IUPAC Name2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane
SMILESCCCc1nc(C2CN(S(=O)(=O)c3ccc(F)cc3)CC23CCCC3)n[nH]1
InChIInChI=1S/C19H25FN4O2S/c1-2-5-17-21-18(23-22-17)16-12-24(13-19(16)10-3-4-11-19)27(25,26)15-8-6-14(20)7-9-15/h6-9,16H,2-5,10-13H2,1H3,(H,21,22,23)
InChIKeyUXWCRBBGUKOROW-UHFFFAOYSA-N
XLogP3.24
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane with MolForge

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Related Compounds

(1-phenylcyclopropyl)-[4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
CID 146070395
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 18204081
4-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane
CID 15398609
[7-(4-fluorophenyl)sulfonyl-2-oxa-7-azaspiro[3.4]octan-5-yl]methanol
CID 166282149
1-(4-fluorophenyl)sulfonyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazine
CID 120902403
1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850233
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
1-(4-fluorophenyl)sulfonylazetidin-3-ol
CID 63106433
(1R,5R)-3-(4-fluorophenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane
CID 98137723
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
CID 63871954
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane (CID 146071012) is 2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane is CCCc1nc(C2CN(S(=O)(=O)c3ccc(F)cc3)CC23CCCC3)n[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane?
The InChIKey is UXWCRBBGUKOROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2S/c1-2-5-17-21-18(23-22-17)16-12-24(13-19(16)10-3-4-11-19)27(25,26)15-8-6-14(20)7-9-15/h6-9,16H,2-5,10-13H2,1H3,(H,21,22,23).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane?
2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane has a molecular weight of 392.50 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-4-(5-propyl-1H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane is sourced from PubChem (CID 146071012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).