4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine

C17H17ClN4O2S2 — CID 2808484

IUPAC4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine
SMILESCc1csc2c(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ncnc12
InChIInChI=1S/C17H17ClN4O2S2/c1-12-10-25-16-15(12)19-11-20-17(16)21-6-8-22(9-7-21)26(23,24)14-4-2-13(18)3-5-14/h2-5,10-11H,6-9H2,1H3
InChIKeyNJIXAVBTETYCRU-UHFFFAOYSA-N
MW408.94 g/mol
LogP3.16
Rot. Bonds3

About 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine

4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine (PubChem CID 2808484) has the molecular formula C17H17ClN4O2S2 and a molecular weight of 408.94 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine
PubChem CID2808484
Molecular FormulaC17H17ClN4O2S2
Molecular Weight408.94 g/mol
Exact Mass408.05
IUPAC Name4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine
SMILESCc1csc2c(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ncnc12
InChIInChI=1S/C17H17ClN4O2S2/c1-12-10-25-16-15(12)19-11-20-17(16)21-6-8-22(9-7-21)26(23,24)14-4-2-13(18)3-5-14/h2-5,10-11H,6-9H2,1H3
InChIKeyNJIXAVBTETYCRU-UHFFFAOYSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.94
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine (CID 2808484) is 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine is Cc1csc2c(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ncnc12.
What is the InChIKey of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine?
The InChIKey is NJIXAVBTETYCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S2/c1-12-10-25-16-15(12)19-11-20-17(16)21-6-8-22(9-7-21)26(23,24)14-4-2-13(18)3-5-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine?
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine has a molecular weight of 408.94 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 2808484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).