1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride

C12H21ClF3N5O2S — CID 120778635

IUPAC1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride
SMILESCCn1cnc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)c1.Cl
InChIInChI=1S/C12H20F3N5O2S.ClH/c1-2-19-8-11(17-9-19)23(21,22)18-7-10(12(13,14)15)20-5-3-16-4-6-20;/h8-10,16,18H,2-7H2,1H3;1H
InChIKeyMSEPAYLGVNRWNM-UHFFFAOYSA-N
MW391.85 g/mol
LogP0.44
Rot. Bonds6

About 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride

1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride (PubChem CID 120778635) has the molecular formula C12H21ClF3N5O2S and a molecular weight of 391.85 g/mol. Its IUPAC name is 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride
PubChem CID120778635
Molecular FormulaC12H21ClF3N5O2S
Molecular Weight391.85 g/mol
Exact Mass391.11
IUPAC Name1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride
SMILESCCn1cnc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)c1.Cl
InChIInChI=1S/C12H20F3N5O2S.ClH/c1-2-19-8-11(17-9-19)23(21,22)18-7-10(12(13,14)15)20-5-3-16-4-6-20;/h8-10,16,18H,2-7H2,1H3;1H
InChIKeyMSEPAYLGVNRWNM-UHFFFAOYSA-N
XLogP0.44
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide;dihydrochloride
CID 119966513
2,4,5-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778859
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propane-1-sulfonamide;hydrochloride
CID 120778775
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
5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778669
3-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)triazole-4-sulfonamide
CID 120876964
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778647
4-fluoro-2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778834
4,5-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778349
methyl 2-[4-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]pyrazol-1-yl]acetate
CID 120778508
2,3-difluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778813

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride (CID 120778635) is 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride is CCn1cnc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)c1.Cl.
What is the InChIKey of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
The InChIKey is MSEPAYLGVNRWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5O2S.ClH/c1-2-19-8-11(17-9-19)23(21,22)18-7-10(12(13,14)15)20-5-3-16-4-6-20;/h8-10,16,18H,2-7H2,1H3;1H.
What are the key properties of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride?
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride has a molecular weight of 391.85 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)imidazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120778635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).