4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine

C18H21ClN2O2S — CID 110413210

IUPAC4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine
SMILESCC1CN(S(=O)(=O)c2cccc(Cl)c2)CC(C)N1c1ccccc1
InChIInChI=1S/C18H21ClN2O2S/c1-14-12-20(24(22,23)18-10-6-7-16(19)11-18)13-15(2)21(14)17-8-4-3-5-9-17/h3-11,14-15H,12-13H2,1-2H3
InChIKeyCAAGYLUBXRSOGX-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.63
Rot. Bonds3

About 4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine

4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine (PubChem CID 110413210) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine.

Molecular Properties

Compound Name4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine
PubChem CID110413210
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine
SMILESCC1CN(S(=O)(=O)c2cccc(Cl)c2)CC(C)N1c1ccccc1
InChIInChI=1S/C18H21ClN2O2S/c1-14-12-20(24(22,23)18-10-6-7-16(19)11-18)13-15(2)21(14)17-8-4-3-5-9-17/h3-11,14-15H,12-13H2,1-2H3
InChIKeyCAAGYLUBXRSOGX-UHFFFAOYSA-N
XLogP3.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
(3S,4S)-1-(3-chlorophenyl)sulfonyl-4-(dimethylamino)pyrrolidin-3-ol
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CID 133125721
1-(3-chlorophenyl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594008
4-cyclopentylsulfonyl-2,6-dimethyl-1-phenylpiperazine
CID 110616587
1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine
CID 110662414
1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 141178417

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine?
The IUPAC name of 4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine (CID 110413210) is 4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine.
What is the SMILES notation for 4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine?
The canonical SMILES for 4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine is CC1CN(S(=O)(=O)c2cccc(Cl)c2)CC(C)N1c1ccccc1.
What is the InChIKey of 4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine?
The InChIKey is CAAGYLUBXRSOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-14-12-20(24(22,23)18-10-6-7-16(19)11-18)13-15(2)21(14)17-8-4-3-5-9-17/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine?
4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine has a molecular weight of 364.90 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)sulfonyl-2,6-dimethyl-1-phenylpiperazine is sourced from PubChem (CID 110413210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).