4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine

C15H15Cl2N3O2S — CID 131961591

IUPAC4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
SMILESCN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2cnccc21
InChIInChI=1S/C15H15Cl2N3O2S/c1-19-6-7-20(15-9-18-5-4-14(15)19)23(21,22)10-11-2-3-12(16)13(17)8-11/h2-5,8-9H,6-7,10H2,1H3
InChIKeyJDJZRMVTJGAGSJ-UHFFFAOYSA-N
MW372.28 g/mol
LogP3.17
Rot. Bonds3

About 4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine

4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine (PubChem CID 131961591) has the molecular formula C15H15Cl2N3O2S and a molecular weight of 372.28 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
PubChem CID131961591
Molecular FormulaC15H15Cl2N3O2S
Molecular Weight372.28 g/mol
Exact Mass371.03
IUPAC Name4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
SMILESCN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2cnccc21
InChIInChI=1S/C15H15Cl2N3O2S/c1-19-6-7-20(15-9-18-5-4-14(15)19)23(21,22)10-11-2-3-12(16)13(17)8-11/h2-5,8-9H,6-7,10H2,1H3
InChIKeyJDJZRMVTJGAGSJ-UHFFFAOYSA-N
XLogP3.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine?
The IUPAC name of 4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine (CID 131961591) is 4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine is CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2cnccc21.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine?
The InChIKey is JDJZRMVTJGAGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2S/c1-19-6-7-20(15-9-18-5-4-14(15)19)23(21,22)10-11-2-3-12(16)13(17)8-11/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine?
4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine has a molecular weight of 372.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methylsulfonyl]-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 131961591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).