1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol

C19H22F3N3O3S — CID 23648693

IUPAC1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol
SMILESCC(O)Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C19H22F3N3O3S/c1-14(26)13-15-4-6-16(7-5-15)29(27,28)25-11-9-24(10-12-25)18-17(19(20,21)22)3-2-8-23-18/h2-8,14,26H,9-13H2,1H3
InChIKeyKTLDIVAEGRXMEV-UHFFFAOYSA-N
MW429.46 g/mol
LogP2.53
Rot. Bonds5

About 1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol

1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol (PubChem CID 23648693) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is 1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol
PubChem CID23648693
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC Name1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol
SMILESCC(O)Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C19H22F3N3O3S/c1-14(26)13-15-4-6-16(7-5-15)29(27,28)25-11-9-24(10-12-25)18-17(19(20,21)22)3-2-8-23-18/h2-8,14,26H,9-13H2,1H3
InChIKeyKTLDIVAEGRXMEV-UHFFFAOYSA-N
XLogP2.53
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol?
The IUPAC name of 1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol (CID 23648693) is 1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol.
What is the SMILES notation for 1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol?
The canonical SMILES for 1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol is CC(O)Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of 1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol?
The InChIKey is KTLDIVAEGRXMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-14(26)13-15-4-6-16(7-5-15)29(27,28)25-11-9-24(10-12-25)18-17(19(20,21)22)3-2-8-23-18/h2-8,14,26H,9-13H2,1H3.
What are the key properties of 1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol?
1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol has a molecular weight of 429.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]propan-2-ol is sourced from PubChem (CID 23648693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).