2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione

C14H15ClN4O5S — CID 12661481

IUPAC2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione
SMILESCc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H15ClN4O5S/c1-9-6-10(19-14(21)17-12(20)8-16-19)7-11(15)13(9)25(22,23)18-2-4-24-5-3-18/h6-8H,2-5H2,1H3,(H,17,20,21)
InChIKeyVEKAUQGTRVMCAR-UHFFFAOYSA-N
MW386.82 g/mol
LogP-0.10
Rot. Bonds3

About 2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione

2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione (PubChem CID 12661481) has the molecular formula C14H15ClN4O5S and a molecular weight of 386.82 g/mol. Its IUPAC name is 2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione
PubChem CID12661481
Molecular FormulaC14H15ClN4O5S
Molecular Weight386.82 g/mol
Exact Mass386.05
IUPAC Name2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione
SMILESCc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H15ClN4O5S/c1-9-6-10(19-14(21)17-12(20)8-16-19)7-11(15)13(9)25(22,23)18-2-4-24-5-3-18/h6-8H,2-5H2,1H3,(H,17,20,21)
InChIKeyVEKAUQGTRVMCAR-UHFFFAOYSA-N
XLogP-0.10
TPSA114.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.82
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione (CID 12661481) is 2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione is Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione?
The InChIKey is VEKAUQGTRVMCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O5S/c1-9-6-10(19-14(21)17-12(20)8-16-19)7-11(15)13(9)25(22,23)18-2-4-24-5-3-18/h6-8H,2-5H2,1H3,(H,17,20,21).
What are the key properties of 2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione?
2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione has a molecular weight of 386.82 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methyl-4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 12661481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).