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

C18H18ClF3N4O2S2 — CID 67157565

IUPAC4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc2c(N3CCNCC3)nccc2s1
InChIInChI=1S/C18H17F3N4O2S2.ClH/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;1H
InChIKeySSTBKNPLZXHVQG-UHFFFAOYSA-N
MW478.95 g/mol
LogP3.95
Rot. Bonds4

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

4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride (PubChem CID 67157565) has the molecular formula C18H18ClF3N4O2S2 and a molecular weight of 478.95 g/mol. Its IUPAC name is 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
PubChem CID67157565
Molecular FormulaC18H18ClF3N4O2S2
Molecular Weight478.95 g/mol
Exact Mass478.05
IUPAC Name4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc2c(N3CCNCC3)nccc2s1
InChIInChI=1S/C18H17F3N4O2S2.ClH/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;1H
InChIKeySSTBKNPLZXHVQG-UHFFFAOYSA-N
XLogP3.95
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.95
LogP ≤ 53.95
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;hydrochloride?
The IUPAC name of 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride (CID 67157565) is 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride.
What is the SMILES notation for 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride?
The canonical SMILES for 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is SSTBKNPLZXHVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S2.ClH/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;1H.
What are the key properties of 4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride?
4-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-sulfonamide;hydrochloride has a molecular weight of 478.95 g/mol, XLogP of 3.95, 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;hydrochloride is sourced from PubChem (CID 67157565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).