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

C13H21ClF3N3O2S2 — CID 120778669

IUPAC5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
SMILESCCc1ccc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)s1.Cl
InChIInChI=1S/C13H20F3N3O2S2.ClH/c1-2-10-3-4-12(22-10)23(20,21)18-9-11(13(14,15)16)19-7-5-17-6-8-19;/h3-4,11,17-18H,2,5-9H2,1H3;1H
InChIKeyVYZFSFWKICVWDV-UHFFFAOYSA-N
MW407.91 g/mol
LogP1.85
Rot. Bonds6

About 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride

5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 120778669) has the molecular formula C13H21ClF3N3O2S2 and a molecular weight of 407.91 g/mol. Its IUPAC name is 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
PubChem CID120778669
Molecular FormulaC13H21ClF3N3O2S2
Molecular Weight407.91 g/mol
Exact Mass407.07
IUPAC Name5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
SMILESCCc1ccc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)s1.Cl
InChIInChI=1S/C13H20F3N3O2S2.ClH/c1-2-10-3-4-12(22-10)23(20,21)18-9-11(13(14,15)16)19-7-5-17-6-8-19;/h3-4,11,17-18H,2,5-9H2,1H3;1H
InChIKeyVYZFSFWKICVWDV-UHFFFAOYSA-N
XLogP1.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778647
4,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778349
2-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778781
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778525
3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778396
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride
CID 120778775
2,3-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778813
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride
CID 120778635
2,4,5-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778859
2,3,4-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778702
2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778792
ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride
CID 120778569

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride (CID 120778669) is 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride is CCc1ccc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)s1.Cl.
What is the InChIKey of 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is VYZFSFWKICVWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2S2.ClH/c1-2-10-3-4-12(22-10)23(20,21)18-9-11(13(14,15)16)19-7-5-17-6-8-19;/h3-4,11,17-18H,2,5-9H2,1H3;1H.
What are the key properties of 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride?
5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 407.91 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120778669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).