4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline

C19H20N4O2S — CID 9460093

IUPAC4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)cc1
InChIInChI=1S/C19H20N4O2S/c1-15-6-8-16(9-7-15)26(24,25)23-12-10-22(11-13-23)19-17-4-2-3-5-18(17)20-14-21-19/h2-9,14H,10-13H2,1H3
InChIKeyDSPPQNIJADHKEU-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.45
Rot. Bonds3

About 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline

4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline (PubChem CID 9460093) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline
PubChem CID9460093
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)cc1
InChIInChI=1S/C19H20N4O2S/c1-15-6-8-16(9-7-15)26(24,25)23-12-10-22(11-13-23)19-17-4-2-3-5-18(17)20-14-21-19/h2-9,14H,10-13H2,1H3
InChIKeyDSPPQNIJADHKEU-UHFFFAOYSA-N
XLogP2.45
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline?
The IUPAC name of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline (CID 9460093) is 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline?
The canonical SMILES for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline is Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline?
The InChIKey is DSPPQNIJADHKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-15-6-8-16(9-7-15)26(24,25)23-12-10-22(11-13-23)19-17-4-2-3-5-18(17)20-14-21-19/h2-9,14H,10-13H2,1H3.
What are the key properties of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline?
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline has a molecular weight of 368.46 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline is sourced from PubChem (CID 9460093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).