4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C15H15N7O3S — CID 23412051

IUPAC4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(Nc3nc(=O)[nH]nc3C)cc2)n1
InChIInChI=1S/C15H15N7O3S/c1-9-7-8-16-14(17-9)22-26(24,25)12-5-3-11(4-6-12)18-13-10(2)20-21-15(23)19-13/h3-8H,1-2H3,(H,16,17,22)(H2,18,19,21,23)
InChIKeyZAPSWIZGTWIYSU-UHFFFAOYSA-N
MW373.40 g/mol
LogP1.12
Rot. Bonds5

About 4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 23412051) has the molecular formula C15H15N7O3S and a molecular weight of 373.40 g/mol. Its IUPAC name is 4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID23412051
Molecular FormulaC15H15N7O3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC Name4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(Nc3nc(=O)[nH]nc3C)cc2)n1
InChIInChI=1S/C15H15N7O3S/c1-9-7-8-16-14(17-9)22-26(24,25)12-5-3-11(4-6-12)18-13-10(2)20-21-15(23)19-13/h3-8H,1-2H3,(H,16,17,22)(H2,18,19,21,23)
InChIKeyZAPSWIZGTWIYSU-UHFFFAOYSA-N
XLogP1.12
TPSA142.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 19683635
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 17377245
5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one
CID 7213919
4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide;cyclopentanone
CID 139196182
4-(2-cyanoethylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 39311105
4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 778376
5-chloro-1,3-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 25038245
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
4-[[methylidene-(3-methylphenyl)-oxo-lambda6-sulfanyl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 3315871
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 23412051) is 4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(Nc3nc(=O)[nH]nc3C)cc2)n1.
What is the InChIKey of 4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is ZAPSWIZGTWIYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O3S/c1-9-7-8-16-14(17-9)22-26(24,25)12-5-3-11(4-6-12)18-13-10(2)20-21-15(23)19-13/h3-8H,1-2H3,(H,16,17,22)(H2,18,19,21,23).
What are the key properties of 4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 23412051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).