1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine

C20H25ClN2O6S2 — CID 19684880

IUPAC1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3C)CC2)c1
InChIInChI=1S/C20H25ClN2O6S2/c1-14-12-19(15(2)11-17(14)21)30(24,25)22-7-9-23(10-8-22)31(26,27)20-13-16(28-3)5-6-18(20)29-4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyWQLSDSNUYDTYEI-UHFFFAOYSA-N
MW489.02 g/mol
LogP2.67
Rot. Bonds6

About 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine

1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine (PubChem CID 19684880) has the molecular formula C20H25ClN2O6S2 and a molecular weight of 489.02 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
PubChem CID19684880
Molecular FormulaC20H25ClN2O6S2
Molecular Weight489.02 g/mol
Exact Mass488.08
IUPAC Name1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3C)CC2)c1
InChIInChI=1S/C20H25ClN2O6S2/c1-14-12-19(15(2)11-17(14)21)30(24,25)22-7-9-23(10-8-22)31(26,27)20-13-16(28-3)5-6-18(20)29-4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyWQLSDSNUYDTYEI-UHFFFAOYSA-N
XLogP2.67
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.02
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 2992112
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684867
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
4-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]sulfonylaniline
CID 2052121
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
1-(2,5-dimethoxyphenyl)sulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684874
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
1-(1-adamantyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3239959

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine (CID 19684880) is 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine is COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)c(Cl)cc3C)CC2)c1.
What is the InChIKey of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine?
The InChIKey is WQLSDSNUYDTYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O6S2/c1-14-12-19(15(2)11-17(14)21)30(24,25)22-7-9-23(10-8-22)31(26,27)20-13-16(28-3)5-6-18(20)29-4/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine?
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine has a molecular weight of 489.02 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 19684880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).