1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine

C21H26Cl2N2O4S2 — CID 19684894

IUPAC1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1C
InChIInChI=1S/C21H26Cl2N2O4S2/c1-13-14(2)16(4)21(17(5)15(13)3)31(28,29)25-10-8-24(9-11-25)30(26,27)20-12-18(22)6-7-19(20)23/h6-7,12H,8-11H2,1-5H3
InChIKeyQEKCYCJUWKPOAG-UHFFFAOYSA-N
MW505.49 g/mol
LogP4.23
Rot. Bonds4

About 1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine

1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine (PubChem CID 19684894) has the molecular formula C21H26Cl2N2O4S2 and a molecular weight of 505.49 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
PubChem CID19684894
Molecular FormulaC21H26Cl2N2O4S2
Molecular Weight505.49 g/mol
Exact Mass504.07
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
SMILESCc1c(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1C
InChIInChI=1S/C21H26Cl2N2O4S2/c1-13-14(2)16(4)21(17(5)15(13)3)31(28,29)25-10-8-24(9-11-25)30(26,27)20-12-18(22)6-7-19(20)23/h6-7,12H,8-11H2,1-5H3
InChIKeyQEKCYCJUWKPOAG-UHFFFAOYSA-N
XLogP4.23
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684902
1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 6957242
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 16615041
(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8748361
5-chloro-2-[[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]methyl]phenol
CID 167886526
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458
1-(2,5-dichlorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17379420
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 9496684
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 121052944
1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine
CID 35289014

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine (CID 19684894) is 1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine is Cc1c(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c(C)c1C.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine?
The InChIKey is QEKCYCJUWKPOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O4S2/c1-13-14(2)16(4)21(17(5)15(13)3)31(28,29)25-10-8-24(9-11-25)30(26,27)20-12-18(22)6-7-19(20)23/h6-7,12H,8-11H2,1-5H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine?
1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine has a molecular weight of 505.49 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 19684894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).