N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide

C15H18N6O2S — CID 650503

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nn2c(C)nnc2-n2nc(C)cc2C)cc1
InChIInChI=1S/C15H18N6O2S/c1-10-5-7-14(8-6-10)24(22,23)19-21-13(4)16-17-15(21)20-12(3)9-11(2)18-20/h5-9,19H,1-4H3
InChIKeyHJFGPIPJKBQTIS-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.63
Rot. Bonds4

About N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide

N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide (PubChem CID 650503) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide
PubChem CID650503
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nn2c(C)nnc2-n2nc(C)cc2C)cc1
InChIInChI=1S/C15H18N6O2S/c1-10-5-7-14(8-6-10)24(22,23)19-21-13(4)16-17-15(21)20-12(3)9-11(2)18-20/h5-9,19H,1-4H3
InChIKeyHJFGPIPJKBQTIS-UHFFFAOYSA-N
XLogP1.63
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide (CID 650503) is N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nn2c(C)nnc2-n2nc(C)cc2C)cc1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is HJFGPIPJKBQTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-10-5-7-14(8-6-10)24(22,23)19-21-13(4)16-17-15(21)20-12(3)9-11(2)18-20/h5-9,19H,1-4H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 346.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 650503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).