4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline

C22H19ClN4O2S2 — CID 26440749

IUPAC4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C22H19ClN4O2S2/c23-17-7-2-4-10-20(17)31(28,29)27-13-11-26(12-14-27)22-16-6-1-3-8-18(16)24-21(25-22)19-9-5-15-30-19/h1-10,15H,11-14H2
InChIKeyHVRSHGREVCKSMV-UHFFFAOYSA-N
MW471.01 g/mol
LogP4.52
Rot. Bonds4

About 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline

4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline (PubChem CID 26440749) has the molecular formula C22H19ClN4O2S2 and a molecular weight of 471.01 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
PubChem CID26440749
Molecular FormulaC22H19ClN4O2S2
Molecular Weight471.01 g/mol
Exact Mass470.06
IUPAC Name4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C22H19ClN4O2S2/c23-17-7-2-4-10-20(17)31(28,29)27-13-11-26(12-14-27)22-16-6-1-3-8-18(16)24-21(25-22)19-9-5-15-30-19/h1-10,15H,11-14H2
InChIKeyHVRSHGREVCKSMV-UHFFFAOYSA-N
XLogP4.52
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.01
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline (CID 26440749) is 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline is O=S(=O)(c1ccccc1Cl)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1.
What is the InChIKey of 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
The InChIKey is HVRSHGREVCKSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S2/c23-17-7-2-4-10-20(17)31(28,29)27-13-11-26(12-14-27)22-16-6-1-3-8-18(16)24-21(25-22)19-9-5-15-30-19/h1-10,15H,11-14H2.
What are the key properties of 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline has a molecular weight of 471.01 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 26440749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).