2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine

C19H17ClF3N3O2S2 — CID 67157512

IUPAC2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine
SMILESO=S(=O)(Cc1cc(Cl)ccc1C(F)(F)F)c1cc2c(N3CCNCC3)nccc2s1
InChIInChI=1S/C19H17ClF3N3O2S2/c20-13-1-2-15(19(21,22)23)12(9-13)11-30(27,28)17-10-14-16(29-17)3-4-25-18(14)26-7-5-24-6-8-26/h1-4,9-10,24H,5-8,11H2
InChIKeyQYFWOXGTHGILSU-UHFFFAOYSA-N
MW475.95 g/mol
LogP4.35
Rot. Bonds4

About 2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine

2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine (PubChem CID 67157512) has the molecular formula C19H17ClF3N3O2S2 and a molecular weight of 475.95 g/mol. Its IUPAC name is 2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine
PubChem CID67157512
Molecular FormulaC19H17ClF3N3O2S2
Molecular Weight475.95 g/mol
Exact Mass475.04
IUPAC Name2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine
SMILESO=S(=O)(Cc1cc(Cl)ccc1C(F)(F)F)c1cc2c(N3CCNCC3)nccc2s1
InChIInChI=1S/C19H17ClF3N3O2S2/c20-13-1-2-15(19(21,22)23)12(9-13)11-30(27,28)17-10-14-16(29-17)3-4-25-18(14)26-7-5-24-6-8-26/h1-4,9-10,24H,5-8,11H2
InChIKeyQYFWOXGTHGILSU-UHFFFAOYSA-N
XLogP4.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.95
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine?
The IUPAC name of 2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine (CID 67157512) is 2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine.
What is the SMILES notation for 2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine?
The canonical SMILES for 2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine is O=S(=O)(Cc1cc(Cl)ccc1C(F)(F)F)c1cc2c(N3CCNCC3)nccc2s1.
What is the InChIKey of 2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine?
The InChIKey is QYFWOXGTHGILSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2S2/c20-13-1-2-15(19(21,22)23)12(9-13)11-30(27,28)17-10-14-16(29-17)3-4-25-18(14)26-7-5-24-6-8-26/h1-4,9-10,24H,5-8,11H2.
What are the key properties of 2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine?
2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine has a molecular weight of 475.95 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(trifluoromethyl)phenyl]methylsulfonyl]-4-piperazin-1-ylthieno[3,2-c]pyridine is sourced from PubChem (CID 67157512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).