4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

C17H16ClN3O3S2 — CID 118720107

IUPAC4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESO=S(=O)(Cc1nc(N2CCOCC2)c2sccc2n1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O3S2/c18-12-2-1-3-13(10-12)26(22,23)11-15-19-14-4-9-25-16(14)17(20-15)21-5-7-24-8-6-21/h1-4,9-10H,5-8,11H2
InChIKeyHMQGEHGAODPTDC-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.16
Rot. Bonds4

About 4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 118720107) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID118720107
Molecular FormulaC17H16ClN3O3S2
Molecular Weight409.92 g/mol
Exact Mass409.03
IUPAC Name4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESO=S(=O)(Cc1nc(N2CCOCC2)c2sccc2n1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClN3O3S2/c18-12-2-1-3-13(10-12)26(22,23)11-15-19-14-4-9-25-16(14)17(20-15)21-5-7-24-8-6-21/h1-4,9-10H,5-8,11H2
InChIKeyHMQGEHGAODPTDC-UHFFFAOYSA-N
XLogP3.16
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 118720107) is 4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is O=S(=O)(Cc1nc(N2CCOCC2)c2sccc2n1)c1cccc(Cl)c1.
What is the InChIKey of 4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is HMQGEHGAODPTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c18-12-2-1-3-13(10-12)26(22,23)11-15-19-14-4-9-25-16(14)17(20-15)21-5-7-24-8-6-21/h1-4,9-10H,5-8,11H2.
What are the key properties of 4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 409.92 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-chlorophenyl)sulfonylmethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 118720107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).