N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide

C14H15N5O5S — CID 15477113

IUPACN-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1nc2c(OC)cnc(OC)n2n1
InChIInChI=1S/C14H15N5O5S/c1-22-9-6-4-5-7-11(9)25(20,21)18-13-16-12-10(23-2)8-15-14(24-3)19(12)17-13/h4-8H,1-3H3,(H,17,18)
InChIKeyQOIVYTBTANOGEV-UHFFFAOYSA-N
MW365.37 g/mol
LogP0.95
Rot. Bonds6

About N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide

N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 15477113) has the molecular formula C14H15N5O5S and a molecular weight of 365.37 g/mol. Its IUPAC name is N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide
PubChem CID15477113
Molecular FormulaC14H15N5O5S
Molecular Weight365.37 g/mol
Exact Mass365.08
IUPAC NameN-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1nc2c(OC)cnc(OC)n2n1
InChIInChI=1S/C14H15N5O5S/c1-22-9-6-4-5-7-11(9)25(20,21)18-13-16-12-10(23-2)8-15-14(24-3)19(12)17-13/h4-8H,1-3H3,(H,17,18)
InChIKeyQOIVYTBTANOGEV-UHFFFAOYSA-N
XLogP0.95
TPSA116.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide (CID 15477113) is N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1nc2c(OC)cnc(OC)n2n1.
What is the InChIKey of N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is QOIVYTBTANOGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O5S/c1-22-9-6-4-5-7-11(9)25(20,21)18-13-16-12-10(23-2)8-15-14(24-3)19(12)17-13/h4-8H,1-3H3,(H,17,18).
What are the key properties of N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide?
N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 365.37 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 15477113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).