N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide

C23H19N5O2S — CID 3718223

IUPACN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2)c1ccccc1
InChIInChI=1S/C23H19N5O2S/c29-31(30,19-14-8-3-9-15-19)27-22-25-23-24-20(17-10-4-1-5-11-17)16-21(28(23)26-22)18-12-6-2-7-13-18/h1-16,21H,(H2,24,25,26,27)
InChIKeyLKNRWHSLEAQZLQ-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.13
Rot. Bonds5

About N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide

N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide (PubChem CID 3718223) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
PubChem CID3718223
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC NameN-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2)c1ccccc1
InChIInChI=1S/C23H19N5O2S/c29-31(30,19-14-8-3-9-15-19)27-22-25-23-24-20(17-10-4-1-5-11-17)16-21(28(23)26-22)18-12-6-2-7-13-18/h1-16,21H,(H2,24,25,26,27)
InChIKeyLKNRWHSLEAQZLQ-UHFFFAOYSA-N
XLogP4.13
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide (CID 3718223) is N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide is O=S(=O)(Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2)c1ccccc1.
What is the InChIKey of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
The InChIKey is LKNRWHSLEAQZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c29-31(30,19-14-8-3-9-15-19)27-22-25-23-24-20(17-10-4-1-5-11-17)16-21(28(23)26-22)18-12-6-2-7-13-18/h1-16,21H,(H2,24,25,26,27).
What are the key properties of N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide has a molecular weight of 429.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 3718223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).