1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine

C17H17Cl3N2O3S — CID 1210841

IUPAC1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1Cl
InChIInChI=1S/C17H17Cl3N2O3S/c1-25-14-5-6-15(17(20)16(14)19)26(23,24)22-9-7-21(8-10-22)13-4-2-3-12(18)11-13/h2-6,11H,7-10H2,1H3
InChIKeyZXPIYNQHRHZPEC-UHFFFAOYSA-N
MW435.76 g/mol
LogP4.17
Rot. Bonds4

About 1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine

1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine (PubChem CID 1210841) has the molecular formula C17H17Cl3N2O3S and a molecular weight of 435.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine
PubChem CID1210841
Molecular FormulaC17H17Cl3N2O3S
Molecular Weight435.76 g/mol
Exact Mass434.00
IUPAC Name1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1Cl
InChIInChI=1S/C17H17Cl3N2O3S/c1-25-14-5-6-15(17(20)16(14)19)26(23,24)22-9-7-21(8-10-22)13-4-2-3-12(18)11-13/h2-6,11H,7-10H2,1H3
InChIKeyZXPIYNQHRHZPEC-UHFFFAOYSA-N
XLogP4.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.76
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
CID 34117775
1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
1-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]pyrrolidine-2,5-dione
CID 100621888
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1-(2,3-dichlorophenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 27305897
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
ethyl 4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 1085675
1-(2-chloro-4-methylphenyl)sulfonyl-4-(3-methylphenyl)piperazine
CID 32680669
1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 997461
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 1303338
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine (CID 1210841) is 1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c(Cl)c1Cl.
What is the InChIKey of 1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is ZXPIYNQHRHZPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N2O3S/c1-25-14-5-6-15(17(20)16(14)19)26(23,24)22-9-7-21(8-10-22)13-4-2-3-12(18)11-13/h2-6,11H,7-10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine?
1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 435.76 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 1210841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).