4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline

C22H26N4O2S — CID 9203733

IUPAC4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)c1C
InChIInChI=1S/C22H26N4O2S/c1-15-13-16(2)18(4)21(17(15)3)29(27,28)26-11-9-25(10-12-26)22-19-7-5-6-8-20(19)23-14-24-22/h5-8,13-14H,9-12H2,1-4H3
InChIKeyXYDRUUJTHATIDX-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.37
Rot. Bonds3

About 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline

4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline (PubChem CID 9203733) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline
PubChem CID9203733
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)c1C
InChIInChI=1S/C22H26N4O2S/c1-15-13-16(2)18(4)21(17(15)3)29(27,28)26-11-9-25(10-12-26)22-19-7-5-6-8-20(19)23-14-24-22/h5-8,13-14H,9-12H2,1-4H3
InChIKeyXYDRUUJTHATIDX-UHFFFAOYSA-N
XLogP3.37
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline?
The IUPAC name of 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline (CID 9203733) is 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline?
The canonical SMILES for 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)c1C.
What is the InChIKey of 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline?
The InChIKey is XYDRUUJTHATIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-15-13-16(2)18(4)21(17(15)3)29(27,28)26-11-9-25(10-12-26)22-19-7-5-6-8-20(19)23-14-24-22/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline?
4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline has a molecular weight of 410.54 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]quinazoline is sourced from PubChem (CID 9203733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).