4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline

C22H20N4O2S2 — CID 4035156

IUPAC4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline
SMILESO=S(=O)(c1ccccc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C22H20N4O2S2/c27-30(28,17-7-2-1-3-8-17)26-14-12-25(13-15-26)22-18-9-4-5-10-19(18)23-21(24-22)20-11-6-16-29-20/h1-11,16H,12-15H2
InChIKeyLSSSNXOMXMKVDH-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.87
Rot. Bonds4

About 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline

4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline (PubChem CID 4035156) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline
PubChem CID4035156
Molecular FormulaC22H20N4O2S2
Molecular Weight436.56 g/mol
Exact Mass436.10
IUPAC Name4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline
SMILESO=S(=O)(c1ccccc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C22H20N4O2S2/c27-30(28,17-7-2-1-3-8-17)26-14-12-25(13-15-26)22-18-9-4-5-10-19(18)23-21(24-22)20-11-6-16-29-20/h1-11,16H,12-15H2
InChIKeyLSSSNXOMXMKVDH-UHFFFAOYSA-N
XLogP3.87
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline (CID 4035156) is 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline is O=S(=O)(c1ccccc1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1.
What is the InChIKey of 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline?
The InChIKey is LSSSNXOMXMKVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c27-30(28,17-7-2-1-3-8-17)26-14-12-25(13-15-26)22-18-9-4-5-10-19(18)23-21(24-22)20-11-6-16-29-20/h1-11,16H,12-15H2.
What are the key properties of 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline?
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline has a molecular weight of 436.56 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 4035156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).