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

C18H17ClN4O4S2 — CID 2082240

IUPAC1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
SMILESO=C(COc1ncnc2sccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H17ClN4O4S2/c19-13-1-3-14(4-2-13)29(25,26)23-8-6-22(7-9-23)16(24)11-27-17-15-5-10-28-18(15)21-12-20-17/h1-5,10,12H,6-9,11H2
InChIKeyODEJGWJHDSKAHS-UHFFFAOYSA-N
MW452.95 g/mol
LogP2.26
Rot. Bonds5

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

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone (PubChem CID 2082240) has the molecular formula C18H17ClN4O4S2 and a molecular weight of 452.95 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
PubChem CID2082240
Molecular FormulaC18H17ClN4O4S2
Molecular Weight452.95 g/mol
Exact Mass452.04
IUPAC Name1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
SMILESO=C(COc1ncnc2sccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H17ClN4O4S2/c19-13-1-3-14(4-2-13)29(25,26)23-8-6-22(7-9-23)16(24)11-27-17-15-5-10-28-18(15)21-12-20-17/h1-5,10,12H,6-9,11H2
InChIKeyODEJGWJHDSKAHS-UHFFFAOYSA-N
XLogP2.26
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone with MolForge

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-quinazolin-4-yloxyethanone
CID 2125605
2-(4-chlorophenoxy)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 1074719
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 1072057
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 18287130
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-ethylphenoxy)ethanone
CID 2710685
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 4850064
2-amino-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 119265370
ethyl 4-[4-(thieno[2,3-d]pyrimidin-4-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 44899558
4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine
CID 2378003
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 3,5-dichlorobenzoate
CID 16523234
[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2,3-dichlorobenzoate
CID 16523107
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 26216088

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone (CID 2082240) is 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone is O=C(COc1ncnc2sccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
The InChIKey is ODEJGWJHDSKAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S2/c19-13-1-3-14(4-2-13)29(25,26)23-8-6-22(7-9-23)16(24)11-27-17-15-5-10-28-18(15)21-12-20-17/h1-5,10,12H,6-9,11H2.
What are the key properties of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone has a molecular weight of 452.95 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone is sourced from PubChem (CID 2082240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).