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

C16H15ClN4O2S2 — CID 9108134

IUPAC4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C16H15ClN4O2S2/c17-13-3-1-2-4-14(13)25(22,23)21-8-6-20(7-9-21)15-12-5-10-24-16(12)19-11-18-15/h1-5,10-11H,6-9H2
InChIKeyRSELGTYSHFPRFW-UHFFFAOYSA-N
MW394.91 g/mol
LogP2.86
Rot. Bonds3

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

4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 9108134) has the molecular formula C16H15ClN4O2S2 and a molecular weight of 394.91 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID9108134
Molecular FormulaC16H15ClN4O2S2
Molecular Weight394.91 g/mol
Exact Mass394.03
IUPAC Name4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C16H15ClN4O2S2/c17-13-3-1-2-4-14(13)25(22,23)21-8-6-20(7-9-21)15-12-5-10-24-16(12)19-11-18-15/h1-5,10-11H,6-9H2
InChIKeyRSELGTYSHFPRFW-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 52.86
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]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine (CID 9108134) is 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine is O=S(=O)(c1ccccc1Cl)N1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is RSELGTYSHFPRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S2/c17-13-3-1-2-4-14(13)25(22,23)21-8-6-20(7-9-21)15-12-5-10-24-16(12)19-11-18-15/h1-5,10-11H,6-9H2.
What are the key properties of 4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 394.91 g/mol, XLogP of 2.86, 3 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]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 9108134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).