(6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

C21H23F3N4O4S — CID 26112102

IUPAC(6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(N2CCOCC2)nc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H23F3N4O4S/c22-21(23,24)17-2-4-18(5-3-17)33(30,31)28-9-7-27(8-10-28)20(29)16-1-6-19(25-15-16)26-11-13-32-14-12-26/h1-6,15H,7-14H2
InChIKeyNYNJURBHLLKQPK-UHFFFAOYSA-N
MW484.50 g/mol
LogP2.08
Rot. Bonds4

About (6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

(6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 26112102) has the molecular formula C21H23F3N4O4S and a molecular weight of 484.50 g/mol. Its IUPAC name is (6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID26112102
Molecular FormulaC21H23F3N4O4S
Molecular Weight484.50 g/mol
Exact Mass484.14
IUPAC Name(6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(N2CCOCC2)nc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H23F3N4O4S/c22-21(23,24)17-2-4-18(5-3-17)33(30,31)28-9-7-27(8-10-28)20(29)16-1-6-19(25-15-16)26-11-13-32-14-12-26/h1-6,15H,7-14H2
InChIKeyNYNJURBHLLKQPK-UHFFFAOYSA-N
XLogP2.08
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone (CID 26112102) is (6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone is O=C(c1ccc(N2CCOCC2)nc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is NYNJURBHLLKQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O4S/c22-21(23,24)17-2-4-18(5-3-17)33(30,31)28-9-7-27(8-10-28)20(29)16-1-6-19(25-15-16)26-11-13-32-14-12-26/h1-6,15H,7-14H2.
What are the key properties of (6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
(6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 484.50 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-morpholin-4-yl-3-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 26112102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).