3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine

C15H23ClN2O4S — CID 166282143

IUPAC3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine
SMILESCOCC(CS(=O)(=O)N1CCNC(c2ccccc2Cl)C1)OC
InChIInChI=1S/C15H23ClN2O4S/c1-21-10-12(22-2)11-23(19,20)18-8-7-17-15(9-18)13-5-3-4-6-14(13)16/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyAJETWNWAEGYKPH-UHFFFAOYSA-N
MW362.88 g/mol
LogP1.28
Rot. Bonds7

About 3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine

3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine (PubChem CID 166282143) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine
PubChem CID166282143
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Name3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine
SMILESCOCC(CS(=O)(=O)N1CCNC(c2ccccc2Cl)C1)OC
InChIInChI=1S/C15H23ClN2O4S/c1-21-10-12(22-2)11-23(19,20)18-8-7-17-15(9-18)13-5-3-4-6-14(13)16/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyAJETWNWAEGYKPH-UHFFFAOYSA-N
XLogP1.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)piperazine-1-carbaldehyde
CID 174711160
3-(2-chlorophenyl)piperazine-1-carboxylic acid
CID 174410576
1-benzylsulfonyl-3-methylpiperazine
CID 65449944
1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448622
5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 52978508
3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one
CID 110657423
[2-(2-chlorophenyl)piperidin-4-yl]methanol
CID 105483517
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
tert-butyl 3-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 71432777
1-(1-methoxypropan-2-ylsulfonyl)-3-methylpiperazine;hydrochloride
CID 119981901
2-(2-chlorophenyl)-1-[4-(methoxymethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120765280
[3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 154755976

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine?
The IUPAC name of 3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine (CID 166282143) is 3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine?
The canonical SMILES for 3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine is COCC(CS(=O)(=O)N1CCNC(c2ccccc2Cl)C1)OC.
What is the InChIKey of 3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine?
The InChIKey is AJETWNWAEGYKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S/c1-21-10-12(22-2)11-23(19,20)18-8-7-17-15(9-18)13-5-3-4-6-14(13)16/h3-6,12,15,17H,7-11H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine?
3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine has a molecular weight of 362.88 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(2,3-dimethoxypropylsulfonyl)piperazine is sourced from PubChem (CID 166282143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).