N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C19H16N6O3S — CID 1169195

IUPACN-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2nc3ncccn3n2)cc1
InChIInChI=1S/C19H16N6O3S/c1-13-5-2-3-6-16(13)24-29(27,28)15-9-7-14(8-10-15)21-18(26)17-22-19-20-11-4-12-25(19)23-17/h2-12,24H,1H3,(H,21,26)
InChIKeyBVHZTWBSGPQTKM-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.49
Rot. Bonds5

About N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1169195) has the molecular formula C19H16N6O3S and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1169195
Molecular FormulaC19H16N6O3S
Molecular Weight408.44 g/mol
Exact Mass408.10
IUPAC NameN-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2nc3ncccn3n2)cc1
InChIInChI=1S/C19H16N6O3S/c1-13-5-2-3-6-16(13)24-29(27,28)15-9-7-14(8-10-15)21-18(26)17-22-19-20-11-4-12-25(19)23-17/h2-12,24H,1H3,(H,21,26)
InChIKeyBVHZTWBSGPQTKM-UHFFFAOYSA-N
XLogP2.49
TPSA118.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 1169195) is N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2nc3ncccn3n2)cc1.
What is the InChIKey of N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BVHZTWBSGPQTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3S/c1-13-5-2-3-6-16(13)24-29(27,28)15-9-7-14(8-10-15)21-18(26)17-22-19-20-11-4-12-25(19)23-17/h2-12,24H,1H3,(H,21,26).
What are the key properties of N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1169195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).