N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide

C11H14N4O3S — CID 83093255

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2cc(C)ccc2C)n1
InChIInChI=1S/C11H14N4O3S/c1-7-4-5-8(2)9(6-7)19(16,17)15-10-12-11(18-3)14-13-10/h4-6H,1-3H3,(H2,12,13,14,15)
InChIKeyBVZIRDMAGFVJGK-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.23
Rot. Bonds4

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 83093255) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID83093255
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide
SMILESCOc1n[nH]c(NS(=O)(=O)c2cc(C)ccc2C)n1
InChIInChI=1S/C11H14N4O3S/c1-7-4-5-8(2)9(6-7)19(16,17)15-10-12-11(18-3)14-13-10/h4-6H,1-3H3,(H2,12,13,14,15)
InChIKeyBVZIRDMAGFVJGK-UHFFFAOYSA-N
XLogP1.23
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 83098109
2,5-dimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 55153733
4-[(3-methoxy-1H-1,2,4-triazol-5-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 83102698
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 83101526
N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 6467501
4-bromo-2,6-dichloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 83096123
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide
CID 83092656
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22203968
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 83095862
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104818633
N-(1H-indazol-3-yl)-2,5-dimethylbenzenesulfonamide
CID 62686396
N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 63564852

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide (CID 83093255) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide is COc1n[nH]c(NS(=O)(=O)c2cc(C)ccc2C)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is BVZIRDMAGFVJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-7-4-5-8(2)9(6-7)19(16,17)15-10-12-11(18-3)14-13-10/h4-6H,1-3H3,(H2,12,13,14,15).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 282.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 83093255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).