1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine

C23H32N2O4S2 — CID 19684660

IUPAC1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1C
InChIInChI=1S/C23H32N2O4S2/c1-16(2)21-7-9-22(10-8-21)30(26,27)24-11-13-25(14-12-24)31(28,29)23-19(5)17(3)15-18(4)20(23)6/h7-10,15-16H,11-14H2,1-6H3
InChIKeyOOBIYWAXCVZEAS-UHFFFAOYSA-N
MW464.65 g/mol
LogP3.74
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine

1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine (PubChem CID 19684660) has the molecular formula C23H32N2O4S2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
PubChem CID19684660
Molecular FormulaC23H32N2O4S2
Molecular Weight464.65 g/mol
Exact Mass464.18
IUPAC Name1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1C
InChIInChI=1S/C23H32N2O4S2/c1-16(2)21-7-9-22(10-8-21)30(26,27)24-11-13-25(14-12-24)31(28,29)23-19(5)17(3)15-18(4)20(23)6/h7-10,15-16H,11-14H2,1-6H3
InChIKeyOOBIYWAXCVZEAS-UHFFFAOYSA-N
XLogP3.74
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine (CID 19684660) is 1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1C.
What is the InChIKey of 1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
The InChIKey is OOBIYWAXCVZEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S2/c1-16(2)21-7-9-22(10-8-21)30(26,27)24-11-13-25(14-12-24)31(28,29)23-19(5)17(3)15-18(4)20(23)6/h7-10,15-16H,11-14H2,1-6H3.
What are the key properties of 1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine?
1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine has a molecular weight of 464.65 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 19684660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).