N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide

C17H15N5O3S — CID 660670

IUPACN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
SMILESO=C1CC(c2ccccc2)n2nc(NS(=O)(=O)c3ccccc3)nc2N1
InChIInChI=1S/C17H15N5O3S/c23-15-11-14(12-7-3-1-4-8-12)22-17(18-15)19-16(20-22)21-26(24,25)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,18,19,20,21,23)
InChIKeyDXJSVHBWMQCQDD-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.01
Rot. Bonds4

About N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide

N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide (PubChem CID 660670) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
PubChem CID660670
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC NameN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
SMILESO=C1CC(c2ccccc2)n2nc(NS(=O)(=O)c3ccccc3)nc2N1
InChIInChI=1S/C17H15N5O3S/c23-15-11-14(12-7-3-1-4-8-12)22-17(18-15)19-16(20-22)21-26(24,25)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,18,19,20,21,23)
InChIKeyDXJSVHBWMQCQDD-UHFFFAOYSA-N
XLogP2.01
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide (CID 660670) is N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide is O=C1CC(c2ccccc2)n2nc(NS(=O)(=O)c3ccccc3)nc2N1.
What is the InChIKey of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
The InChIKey is DXJSVHBWMQCQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c23-15-11-14(12-7-3-1-4-8-12)22-17(18-15)19-16(20-22)21-26(24,25)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,18,19,20,21,23).
What are the key properties of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide has a molecular weight of 369.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 660670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).