5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride

C19H24ClN3O4S — CID 120763116

IUPAC5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1ccc(C)c(C(N)=O)c1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-13-7-8-14(11-16(13)19(20)23)27(24,25)22-10-9-21-12-17(22)15-5-3-4-6-18(15)26-2;/h3-8,11,17,21H,9-10,12H2,1-2H3,(H2,20,23);1H
InChIKeyIIJRHEUNLHQHPY-UHFFFAOYSA-N
MW425.94 g/mol
LogP1.86
Rot. Bonds5

About 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride

5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride (PubChem CID 120763116) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride
PubChem CID120763116
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Name5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1ccc(C)c(C(N)=O)c1.Cl
InChIInChI=1S/C19H23N3O4S.ClH/c1-13-7-8-14(11-16(13)19(20)23)27(24,25)22-10-9-21-12-17(22)15-5-3-4-6-18(15)26-2;/h3-8,11,17,21H,9-10,12H2,1-2H3,(H2,20,23);1H
InChIKeyIIJRHEUNLHQHPY-UHFFFAOYSA-N
XLogP1.86
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide;hydrochloride
CID 120763352
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide
CID 120776834
methyl 4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate;hydrochloride
CID 120763445
1-(3-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763268
5-(2-cyanopiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 79095352
1-(4,5-dimethylthiophen-2-yl)sulfonyl-2-(2-methoxyphenyl)piperazine
CID 120763016
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
methyl 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylfuran-3-carboxylate
CID 120763083
(2,5-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734041

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride (CID 120763116) is 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride is COc1ccccc1C1CNCCN1S(=O)(=O)c1ccc(C)c(C(N)=O)c1.Cl.
What is the InChIKey of 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride?
The InChIKey is IIJRHEUNLHQHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S.ClH/c1-13-7-8-14(11-16(13)19(20)23)27(24,25)22-10-9-21-12-17(22)15-5-3-4-6-18(15)26-2;/h3-8,11,17,21H,9-10,12H2,1-2H3,(H2,20,23);1H.
What are the key properties of 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride?
5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride has a molecular weight of 425.94 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120763116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).