methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride

C18H23ClN2O5S — CID 120765362

IUPACmethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride
SMILESCCc1ccc(C2CNCCN2S(=O)(=O)c2ccc(C(=O)OC)o2)cc1.Cl
InChIInChI=1S/C18H22N2O5S.ClH/c1-3-13-4-6-14(7-5-13)15-12-19-10-11-20(15)26(22,23)17-9-8-16(25-17)18(21)24-2;/h4-9,15,19H,3,10-12H2,1-2H3;1H
InChIKeyBQHRQTUPMPNZPZ-UHFFFAOYSA-N
MW414.91 g/mol
LogP2.39
Rot. Bonds5

About methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride

methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride (PubChem CID 120765362) has the molecular formula C18H23ClN2O5S and a molecular weight of 414.91 g/mol. Its IUPAC name is methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride
PubChem CID120765362
Molecular FormulaC18H23ClN2O5S
Molecular Weight414.91 g/mol
Exact Mass414.10
IUPAC Namemethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride
SMILESCCc1ccc(C2CNCCN2S(=O)(=O)c2ccc(C(=O)OC)o2)cc1.Cl
InChIInChI=1S/C18H22N2O5S.ClH/c1-3-13-4-6-14(7-5-13)15-12-19-10-11-20(15)26(22,23)17-9-8-16(25-17)18(21)24-2;/h4-9,15,19H,3,10-12H2,1-2H3;1H
InChIKeyBQHRQTUPMPNZPZ-UHFFFAOYSA-N
XLogP2.39
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;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

ethyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 120765458
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-2-methylfuran-3-carboxylate;hydrochloride
CID 120765513
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylpyridine-2-carboxylate;hydrochloride
CID 120765525
N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120765473
1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
CID 120765370
2-(4-ethylphenyl)-1-[2-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765523
methyl 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-carboxylate;hydrochloride
CID 120764459
4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 120765584
1-but-3-enylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
CID 120765493
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-carboxylate
CID 120776778
4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-3,5-difluorobenzonitrile
CID 120765606
2-[2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 120876816

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride (CID 120765362) is methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride is CCc1ccc(C2CNCCN2S(=O)(=O)c2ccc(C(=O)OC)o2)cc1.Cl.
What is the InChIKey of methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride?
The InChIKey is BQHRQTUPMPNZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S.ClH/c1-3-13-4-6-14(7-5-13)15-12-19-10-11-20(15)26(22,23)17-9-8-16(25-17)18(21)24-2;/h4-9,15,19H,3,10-12H2,1-2H3;1H.
What are the key properties of methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride?
methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride has a molecular weight of 414.91 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate;hydrochloride is sourced from PubChem (CID 120765362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).