1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine

C15H23ClN2O4S — CID 113080589

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2cc(OC)c(Cl)cc2OC)CC1
InChIInChI=1S/C15H23ClN2O4S/c1-4-9-23(19,20)18-7-5-17(6-8-18)13-11-14(21-2)12(16)10-15(13)22-3/h10-11H,4-9H2,1-3H3
InChIKeyMTJYIZBYDYZXTN-UHFFFAOYSA-N
MW362.88 g/mol
LogP2.22
Rot. Bonds6

About 1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine

1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine (PubChem CID 113080589) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine
PubChem CID113080589
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(c2cc(OC)c(Cl)cc2OC)CC1
InChIInChI=1S/C15H23ClN2O4S/c1-4-9-23(19,20)18-7-5-17(6-8-18)13-11-14(21-2)12(16)10-15(13)22-3/h10-11H,4-9H2,1-3H3
InChIKeyMTJYIZBYDYZXTN-UHFFFAOYSA-N
XLogP2.22
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-butylsulfonyl-4-(3-chloro-4-methoxyphenyl)piperazine
CID 113077135
1-(2,6-dichlorophenyl)-4-propylsulfonylpiperazine
CID 113080453
1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 113080545
1-(3-chloro-4-fluorophenyl)-4-propylsulfonylpiperazine
CID 113076966
1-(benzenesulfonyl)-4-(4-chloro-2-methoxy-5-methylphenyl)piperazine
CID 113080654
2-(5-chloro-2-methoxyphenyl)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 110804904
1-(2,4-difluorophenyl)-4-propylsulfonylpiperazine
CID 113079918
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113080661
1-[(3,4-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazine
CID 770674
1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine
CID 60861288
1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine
CID 117002959
4-(4-chloro-2,5-dimethoxyphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104137

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine (CID 113080589) is 1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(c2cc(OC)c(Cl)cc2OC)CC1.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine?
The InChIKey is MTJYIZBYDYZXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S/c1-4-9-23(19,20)18-7-5-17(6-8-18)13-11-14(21-2)12(16)10-15(13)22-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine?
1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine has a molecular weight of 362.88 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)-4-propylsulfonylpiperazine is sourced from PubChem (CID 113080589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).