4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine

C22H19FN4O2S2 — CID 1323094

IUPAC4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C22H19FN4O2S2/c23-17-6-8-18(9-7-17)31(28,29)27-12-10-26(11-13-27)21-20-19(16-4-2-1-3-5-16)14-30-22(20)25-15-24-21/h1-9,14-15H,10-13H2
InChIKeyLPJHBZHJDJTHKX-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.01
Rot. Bonds4

About 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine

4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 1323094) has the molecular formula C22H19FN4O2S2 and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
PubChem CID1323094
Molecular FormulaC22H19FN4O2S2
Molecular Weight454.55 g/mol
Exact Mass454.09
IUPAC Name4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C22H19FN4O2S2/c23-17-6-8-18(9-7-17)31(28,29)27-12-10-26(11-13-27)21-20-19(16-4-2-1-3-5-16)14-30-22(20)25-15-24-21/h1-9,14-15H,10-13H2
InChIKeyLPJHBZHJDJTHKX-UHFFFAOYSA-N
XLogP4.01
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine (CID 1323094) is 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine is O=S(=O)(c1ccc(F)cc1)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is LPJHBZHJDJTHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2S2/c23-17-6-8-18(9-7-17)31(28,29)27-12-10-26(11-13-27)21-20-19(16-4-2-1-3-5-16)14-30-22(20)25-15-24-21/h1-9,14-15H,10-13H2.
What are the key properties of 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine?
4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 454.55 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 1323094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).