2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine

C18H12ClN3O3S2 — CID 118720380

IUPAC2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cn1
InChIInChI=1S/C18H12ClN3O3S2/c1-25-15-6-5-11(10-20-15)16-17-14(7-8-26-17)21-18(22-16)27(23,24)13-4-2-3-12(19)9-13/h2-10H,1H3
InChIKeyZOUDHVWDOCECCM-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.25
Rot. Bonds4

About 2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine

2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine (PubChem CID 118720380) has the molecular formula C18H12ClN3O3S2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine
PubChem CID118720380
Molecular FormulaC18H12ClN3O3S2
Molecular Weight417.90 g/mol
Exact Mass417.00
IUPAC Name2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine
SMILESCOc1ccc(-c2nc(S(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cn1
InChIInChI=1S/C18H12ClN3O3S2/c1-25-15-6-5-11(10-20-15)16-17-14(7-8-26-17)21-18(22-16)27(23,24)13-4-2-3-12(19)9-13/h2-10H,1H3
InChIKeyZOUDHVWDOCECCM-UHFFFAOYSA-N
XLogP4.25
TPSA82.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine (CID 118720380) is 2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine is COc1ccc(-c2nc(S(=O)(=O)c3cccc(Cl)c3)nc3ccsc23)cn1.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine?
The InChIKey is ZOUDHVWDOCECCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3S2/c1-25-15-6-5-11(10-20-15)16-17-14(7-8-26-17)21-18(22-16)27(23,24)13-4-2-3-12(19)9-13/h2-10H,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine?
2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine has a molecular weight of 417.90 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 118720380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).