4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine

C17H21FN4O2S — CID 91904979

IUPAC4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(n2cnnc2C2CC2)CC1
InChIInChI=1S/C17H21FN4O2S/c1-12-2-5-14(18)10-16(12)25(23,24)21-8-6-15(7-9-21)22-11-19-20-17(22)13-3-4-13/h2,5,10-11,13,15H,3-4,6-9H2,1H3
InChIKeyMWMRRTXGQDFQJK-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.63
Rot. Bonds4

About 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine

4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine (PubChem CID 91904979) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
PubChem CID91904979
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(n2cnnc2C2CC2)CC1
InChIInChI=1S/C17H21FN4O2S/c1-12-2-5-14(18)10-16(12)25(23,24)21-8-6-15(7-9-21)22-11-19-20-17(22)13-3-4-13/h2,5,10-11,13,15H,3-4,6-9H2,1H3
InChIKeyMWMRRTXGQDFQJK-UHFFFAOYSA-N
XLogP2.63
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine (CID 91904979) is 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine is Cc1ccc(F)cc1S(=O)(=O)N1CCC(n2cnnc2C2CC2)CC1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine?
The InChIKey is MWMRRTXGQDFQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-12-2-5-14(18)10-16(12)25(23,24)21-8-6-15(7-9-21)22-11-19-20-17(22)13-3-4-13/h2,5,10-11,13,15H,3-4,6-9H2,1H3.
What are the key properties of 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine?
4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine has a molecular weight of 364.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-triazol-4-yl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 91904979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).