2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine

C18H21ClN2O4S — CID 120776752

IUPAC2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1cccc(OC)c1S(=O)(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O4S/c1-24-16-7-4-8-17(25-2)18(16)26(22,23)21-10-9-20-12-15(21)13-5-3-6-14(19)11-13/h3-8,11,15,20H,9-10,12H2,1-2H3
InChIKeyYDXXIBNLRCPFQO-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.69
Rot. Bonds5

About 2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine

2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine (PubChem CID 120776752) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine
PubChem CID120776752
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1cccc(OC)c1S(=O)(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN2O4S/c1-24-16-7-4-8-17(25-2)18(16)26(22,23)21-10-9-20-12-15(21)13-5-3-6-14(19)11-13/h3-8,11,15,20H,9-10,12H2,1-2H3
InChIKeyYDXXIBNLRCPFQO-UHFFFAOYSA-N
XLogP2.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422
1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
CID 120776858
2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride
CID 120777039
2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide
CID 120776944
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate;hydrochloride
CID 120777003
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 120776788
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-carboxylate
CID 120776778
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764715
4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methylbenzonitrile;hydrochloride
CID 120776845
2-(3-chlorophenyl)-1-(4-methyl-3-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120776785
5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120776773
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzamide
CID 120776834

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine (CID 120776752) is 2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine is COc1cccc(OC)c1S(=O)(=O)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine?
The InChIKey is YDXXIBNLRCPFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-24-16-7-4-8-17(25-2)18(16)26(22,23)21-10-9-20-12-15(21)13-5-3-6-14(19)11-13/h3-8,11,15,20H,9-10,12H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine?
2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine has a molecular weight of 396.90 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 120776752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).