4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide

C18H17F3N4O2S2 — CID 67157566

IUPAC4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc2c(N3CCNCC3)nccc2s1
InChIInChI=1S/C18H17F3N4O2S2/c19-18(20,21)12-2-1-3-13(10-12)24-29(26,27)16-11-14-15(28-16)4-5-23-17(14)25-8-6-22-7-9-25/h1-5,10-11,22,24H,6-9H2
InChIKeyGSKXUMYZCLLZJI-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.53
Rot. Bonds4

About 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide

4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 67157566) has the molecular formula C18H17F3N4O2S2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID67157566
Molecular FormulaC18H17F3N4O2S2
Molecular Weight442.49 g/mol
Exact Mass442.07
IUPAC Name4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc2c(N3CCNCC3)nccc2s1
InChIInChI=1S/C18H17F3N4O2S2/c19-18(20,21)12-2-1-3-13(10-12)24-29(26,27)16-11-14-15(28-16)4-5-23-17(14)25-8-6-22-7-9-25/h1-5,10-11,22,24H,6-9H2
InChIKeyGSKXUMYZCLLZJI-UHFFFAOYSA-N
XLogP3.53
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide (CID 67157566) is 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc2c(N3CCNCC3)nccc2s1.
What is the InChIKey of 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is GSKXUMYZCLLZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S2/c19-18(20,21)12-2-1-3-13(10-12)24-29(26,27)16-11-14-15(28-16)4-5-23-17(14)25-8-6-22-7-9-25/h1-5,10-11,22,24H,6-9H2.
What are the key properties of 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide?
4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 442.49 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 67157566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).