3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride

C12H19ClF3N3O3S2 — CID 120778641

IUPAC3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
SMILESCOc1ccsc1S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C12H18F3N3O3S2.ClH/c1-21-9-2-7-22-11(9)23(19,20)17-8-10(12(13,14)15)18-5-3-16-4-6-18;/h2,7,10,16-17H,3-6,8H2,1H3;1H
InChIKeyVZZMSFFXXUCONK-UHFFFAOYSA-N
MW409.88 g/mol
LogP1.29
Rot. Bonds6

About 3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride

3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 120778641) has the molecular formula C12H19ClF3N3O3S2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
PubChem CID120778641
Molecular FormulaC12H19ClF3N3O3S2
Molecular Weight409.88 g/mol
Exact Mass409.05
IUPAC Name3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
SMILESCOc1ccsc1S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.Cl
InChIInChI=1S/C12H18F3N3O3S2.ClH/c1-21-9-2-7-22-11(9)23(19,20)17-8-10(12(13,14)15)18-5-3-16-4-6-18;/h2,7,10,16-17H,3-6,8H2,1H3;1H
InChIKeyVZZMSFFXXUCONK-UHFFFAOYSA-N
XLogP1.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride (CID 120778641) is 3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride is COc1ccsc1S(=O)(=O)NCC(N1CCNCC1)C(F)(F)F.Cl.
What is the InChIKey of 3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is VZZMSFFXXUCONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O3S2.ClH/c1-21-9-2-7-22-11(9)23(19,20)17-8-10(12(13,14)15)18-5-3-16-4-6-18;/h2,7,10,16-17H,3-6,8H2,1H3;1H.
What are the key properties of 3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 409.88 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120778641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).