3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide

C13H12ClN5O3S — CID 167973723

IUPAC3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(=O)n2[nH]c(NS(=O)(=O)c3cccc(Cl)c3C)nc2n1
InChIInChI=1S/C13H12ClN5O3S/c1-7-6-11(20)19-13(15-7)16-12(17-19)18-23(21,22)10-5-3-4-9(14)8(10)2/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyGVSRVKFBSAPLTF-UHFFFAOYSA-N
MW353.79 g/mol
LogP1.49
Rot. Bonds3

About 3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide

3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide (PubChem CID 167973723) has the molecular formula C13H12ClN5O3S and a molecular weight of 353.79 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
PubChem CID167973723
Molecular FormulaC13H12ClN5O3S
Molecular Weight353.79 g/mol
Exact Mass353.03
IUPAC Name3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(=O)n2[nH]c(NS(=O)(=O)c3cccc(Cl)c3C)nc2n1
InChIInChI=1S/C13H12ClN5O3S/c1-7-6-11(20)19-13(15-7)16-12(17-19)18-23(21,22)10-5-3-4-9(14)8(10)2/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyGVSRVKFBSAPLTF-UHFFFAOYSA-N
XLogP1.49
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 66490209
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
(2R)-2-(4-fluorophenyl)-2-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanesulfonamide
CID 164641703
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 115698055
3-chloro-2-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540546
4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 930029
3-methoxy-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 6485779
3-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-methylbenzenesulfonamide
CID 122287418
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192
3-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532701
3-chloro-N-(1-ethyl-3-oxo-2H-indazol-5-yl)-2-methylbenzenesulfonamide
CID 11646301
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide (CID 167973723) is 3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide is Cc1cc(=O)n2[nH]c(NS(=O)(=O)c3cccc(Cl)c3C)nc2n1.
What is the InChIKey of 3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
The InChIKey is GVSRVKFBSAPLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O3S/c1-7-6-11(20)19-13(15-7)16-12(17-19)18-23(21,22)10-5-3-4-9(14)8(10)2/h3-6H,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide?
3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide has a molecular weight of 353.79 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 167973723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).