N-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide

C13H14ClN5O2S — CID 59748777

IUPACN-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(-c2nc3c(Cl)c(C)[nH]n3n2)cc1NS(C)(=O)=O
InChIInChI=1S/C13H14ClN5O2S/c1-7-4-5-9(6-10(7)18-22(3,20)21)12-15-13-11(14)8(2)16-19(13)17-12/h4-6,16,18H,1-3H3
InChIKeyQIYGZONHYAFYIA-UHFFFAOYSA-N
MW339.81 g/mol
LogP2.37
Rot. Bonds3

About N-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide

N-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide (PubChem CID 59748777) has the molecular formula C13H14ClN5O2S and a molecular weight of 339.81 g/mol. Its IUPAC name is N-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide
PubChem CID59748777
Molecular FormulaC13H14ClN5O2S
Molecular Weight339.81 g/mol
Exact Mass339.06
IUPAC NameN-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(-c2nc3c(Cl)c(C)[nH]n3n2)cc1NS(C)(=O)=O
InChIInChI=1S/C13H14ClN5O2S/c1-7-4-5-9(6-10(7)18-22(3,20)21)12-15-13-11(14)8(2)16-19(13)17-12/h4-6,16,18H,1-3H3
InChIKeyQIYGZONHYAFYIA-UHFFFAOYSA-N
XLogP2.37
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.81
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide (CID 59748777) is N-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide is Cc1ccc(-c2nc3c(Cl)c(C)[nH]n3n2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide?
The InChIKey is QIYGZONHYAFYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2S/c1-7-4-5-9(6-10(7)18-22(3,20)21)12-15-13-11(14)8(2)16-19(13)17-12/h4-6,16,18H,1-3H3.
What are the key properties of N-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide?
N-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide has a molecular weight of 339.81 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 59748777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).