N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide

C11H14N4O4S — CID 166314705

IUPACN-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2nn(C)c(=O)n2C)c1
InChIInChI=1S/C11H14N4O4S/c1-14-10(12-15(2)11(14)16)13-20(17,18)9-6-4-5-8(7-9)19-3/h4-7H,1-3H3,(H,12,13)
InChIKeyOZLLMOMPGXQOOW-UHFFFAOYSA-N
MW298.32 g/mol
LogP-0.07
Rot. Bonds4

About N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide

N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide (PubChem CID 166314705) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide
PubChem CID166314705
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC NameN-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2nn(C)c(=O)n2C)c1
InChIInChI=1S/C11H14N4O4S/c1-14-10(12-15(2)11(14)16)13-20(17,18)9-6-4-5-8(7-9)19-3/h4-7H,1-3H3,(H,12,13)
InChIKeyOZLLMOMPGXQOOW-UHFFFAOYSA-N
XLogP-0.07
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,6-dimethyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)-3-methoxybenzenesulfonamide
CID 136750261
N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-3-methoxybenzenesulfonamide
CID 50772882
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
3-methoxy-N-[7-[(3-methoxyphenyl)sulfonylamino]-9-oxofluoren-2-yl]benzenesulfonamide
CID 10437549
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
N-tert-butyl-3-methoxybenzenesulfonamide
CID 10752756
3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 45369226
N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
CID 103775610
5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide
CID 86868986
N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53074945
3-methoxy-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzenesulfonamide
CID 121135064
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide?
The IUPAC name of N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide (CID 166314705) is N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)Nc2nn(C)c(=O)n2C)c1.
What is the InChIKey of N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide?
The InChIKey is OZLLMOMPGXQOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-14-10(12-15(2)11(14)16)13-20(17,18)9-6-4-5-8(7-9)19-3/h4-7H,1-3H3,(H,12,13).
What are the key properties of N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide?
N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide has a molecular weight of 298.32 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 166314705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).