4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride

C15H14ClN3O3S2 — CID 22386549

IUPAC4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride
SMILESCCSc1nc(-c2ccc(S(=O)(=O)Cl)c(OC)c2)cc2nccn12
InChIInChI=1S/C15H14ClN3O3S2/c1-3-23-15-18-11(9-14-17-6-7-19(14)15)10-4-5-13(24(16,20)21)12(8-10)22-2/h4-9H,3H2,1-2H3
InChIKeyHOBXMNRMGLOWBR-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.44
Rot. Bonds5

About 4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride

4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride (PubChem CID 22386549) has the molecular formula C15H14ClN3O3S2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride
PubChem CID22386549
Molecular FormulaC15H14ClN3O3S2
Molecular Weight383.88 g/mol
Exact Mass383.02
IUPAC Name4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride
SMILESCCSc1nc(-c2ccc(S(=O)(=O)Cl)c(OC)c2)cc2nccn12
InChIInChI=1S/C15H14ClN3O3S2/c1-3-23-15-18-11(9-14-17-6-7-19(14)15)10-4-5-13(24(16,20)21)12(8-10)22-2/h4-9H,3H2,1-2H3
InChIKeyHOBXMNRMGLOWBR-UHFFFAOYSA-N
XLogP3.44
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride (CID 22386549) is 4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride is CCSc1nc(-c2ccc(S(=O)(=O)Cl)c(OC)c2)cc2nccn12.
What is the InChIKey of 4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride?
The InChIKey is HOBXMNRMGLOWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S2/c1-3-23-15-18-11(9-14-17-6-7-19(14)15)10-4-5-13(24(16,20)21)12(8-10)22-2/h4-9H,3H2,1-2H3.
What are the key properties of 4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride?
4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride has a molecular weight of 383.88 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 22386549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).