1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine

C19H22Cl2N2O4S — CID 16644819

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(OC)cc1Cl
InChIInChI=1S/C19H22Cl2N2O4S/c1-13-4-5-14(10-15(13)20)22-6-8-23(9-7-22)28(24,25)19-12-17(26-2)16(21)11-18(19)27-3/h4-5,10-12H,6-9H2,1-3H3
InChIKeyRTPGHJOHWJAQMO-UHFFFAOYSA-N
MW445.37 g/mol
LogP3.83
Rot. Bonds5

About 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine

1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine (PubChem CID 16644819) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
PubChem CID16644819
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
SMILESCOc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(OC)cc1Cl
InChIInChI=1S/C19H22Cl2N2O4S/c1-13-4-5-14(10-15(13)20)22-6-8-23(9-7-22)28(24,25)19-12-17(26-2)16(21)11-18(19)27-3/h4-5,10-12H,6-9H2,1-3H3
InChIKeyRTPGHJOHWJAQMO-UHFFFAOYSA-N
XLogP3.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 1303338
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 6464219
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(3,4-dimethylphenyl)piperazine
CID 113075565
1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2137811
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
1-(3-chloro-4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113077138
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(4-ethylphenyl)piperazine
CID 2208743
1-(3-chloro-4-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1289904
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 113081099
1-(3-chloro-4-methylphenyl)-4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 91669904
1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 1295231

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine (CID 16644819) is 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine is COc1cc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)c(OC)cc1Cl.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine?
The InChIKey is RTPGHJOHWJAQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-13-4-5-14(10-15(13)20)22-6-8-23(9-7-22)28(24,25)19-12-17(26-2)16(21)11-18(19)27-3/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine?
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine has a molecular weight of 445.37 g/mol, XLogP of 3.83, 5 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)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine is sourced from PubChem (CID 16644819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).