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

C22H18F2N4O2S2 — CID 24980394

IUPAC5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C22H18F2N4O2S2/c23-16-6-4-15(5-7-16)19-13-31-22-20(19)21(25-14-26-22)27-8-10-28(11-9-27)32(29,30)18-3-1-2-17(24)12-18/h1-7,12-14H,8-11H2
InChIKeyRMNOFBYHTGWZQQ-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.15
Rot. Bonds4

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

5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 24980394) has the molecular formula C22H18F2N4O2S2 and a molecular weight of 472.54 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID24980394
Molecular FormulaC22H18F2N4O2S2
Molecular Weight472.54 g/mol
Exact Mass472.08
IUPAC Name5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C22H18F2N4O2S2/c23-16-6-4-15(5-7-16)19-13-31-22-20(19)21(25-14-26-22)27-8-10-28(11-9-27)32(29,30)18-3-1-2-17(24)12-18/h1-7,12-14H,8-11H2
InChIKeyRMNOFBYHTGWZQQ-UHFFFAOYSA-N
XLogP4.15
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 1323094
4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 26449073
4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 23913167
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
CID 16553198
5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 16553323
4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407485
4-[4-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol
CID 29196418
5-phenyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 55988290
7-(4-chlorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylpyrrolo[2,3-d]pyrimidine
CID 171336538
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
CID 1277328
5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1186225
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine (CID 24980394) is 5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine is O=S(=O)(c1cccc(F)c1)N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is RMNOFBYHTGWZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2S2/c23-16-6-4-15(5-7-16)19-13-31-22-20(19)21(25-14-26-22)27-8-10-28(11-9-27)32(29,30)18-3-1-2-17(24)12-18/h1-7,12-14H,8-11H2.
What are the key properties of 5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 472.54 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 24980394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).