methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride

C17H21ClN2O5S2 — CID 120763445

IUPACmethyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCNCC2c2ccccc2OC)cs1.Cl
InChIInChI=1S/C17H20N2O5S2.ClH/c1-23-15-6-4-3-5-13(15)14-10-18-7-8-19(14)26(21,22)12-9-16(25-11-12)17(20)24-2;/h3-6,9,11,14,18H,7-8,10H2,1-2H3;1H
InChIKeyGJFRYWGIEQJZNB-UHFFFAOYSA-N
MW432.95 g/mol
LogP2.30
Rot. Bonds5

About methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride

methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride (PubChem CID 120763445) has the molecular formula C17H21ClN2O5S2 and a molecular weight of 432.95 g/mol. Its IUPAC name is methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
PubChem CID120763445
Molecular FormulaC17H21ClN2O5S2
Molecular Weight432.95 g/mol
Exact Mass432.06
IUPAC Namemethyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCNCC2c2ccccc2OC)cs1.Cl
InChIInChI=1S/C17H20N2O5S2.ClH/c1-23-15-6-4-3-5-13(15)14-10-18-7-8-19(14)26(21,22)12-9-16(25-11-12)17(20)24-2;/h3-6,9,11,14,18H,7-8,10H2,1-2H3;1H
InChIKeyGJFRYWGIEQJZNB-UHFFFAOYSA-N
XLogP2.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-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

4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide;hydrochloride
CID 120763352
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate
CID 120763083
5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride
CID 120763116
1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763268
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120763453
1-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763257
methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride
CID 119961681
1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763016

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride (CID 120763445) is methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride is COC(=O)c1cc(S(=O)(=O)N2CCNCC2c2ccccc2OC)cs1.Cl.
What is the InChIKey of methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride?
The InChIKey is GJFRYWGIEQJZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2.ClH/c1-23-15-6-4-3-5-13(15)14-10-18-7-8-19(14)26(21,22)12-9-16(25-11-12)17(20)24-2;/h3-6,9,11,14,18H,7-8,10H2,1-2H3;1H.
What are the key properties of methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride?
methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride has a molecular weight of 432.95 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 120763445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).