4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide

C12H16N4O4S — CID 79027360

IUPAC4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2n[nH]c(C)n2)cc1OC
InChIInChI=1S/C12H16N4O4S/c1-7-5-9(19-3)10(20-4)6-11(7)21(17,18)16-12-13-8(2)14-15-12/h5-6H,1-4H3,(H2,13,14,15,16)
InChIKeyIBKKNMZNUCZVFB-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.24
Rot. Bonds5

About 4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide

4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 79027360) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID79027360
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2n[nH]c(C)n2)cc1OC
InChIInChI=1S/C12H16N4O4S/c1-7-5-9(19-3)10(20-4)6-11(7)21(17,18)16-12-13-8(2)14-15-12/h5-6H,1-4H3,(H2,13,14,15,16)
InChIKeyIBKKNMZNUCZVFB-UHFFFAOYSA-N
XLogP1.24
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-difluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028842
2-chloro-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 79028876
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
methyl 4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfamoyl]benzoate
CID 79028841
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 110758865
ethyl 2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-1,3-oxazole-4-carboxylate
CID 71857793
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 86825312
N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912107
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110731092
2-bromo-4,5-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 63822071

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide (CID 79027360) is 4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2n[nH]c(C)n2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is IBKKNMZNUCZVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c1-7-5-9(19-3)10(20-4)6-11(7)21(17,18)16-12-13-8(2)14-15-12/h5-6H,1-4H3,(H2,13,14,15,16).
What are the key properties of 4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 312.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 79027360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).