4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid

C11H10N4O5S — CID 115571542

IUPAC4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C11H10N4O5S/c1-20-8-3-2-7(10(16)17)6-9(8)21(18,19)15-11-12-4-5-13-14-11/h2-6H,1H3,(H,16,17)(H,12,14,15)
InChIKeyZUVPTTVWMDCCHQ-UHFFFAOYSA-N
MW310.29 g/mol
LogP0.38
Rot. Bonds5

About 4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid

4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid (PubChem CID 115571542) has the molecular formula C11H10N4O5S and a molecular weight of 310.29 g/mol. Its IUPAC name is 4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
PubChem CID115571542
Molecular FormulaC11H10N4O5S
Molecular Weight310.29 g/mol
Exact Mass310.04
IUPAC Name4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1nccnn1
InChIInChI=1S/C11H10N4O5S/c1-20-8-3-2-7(10(16)17)6-9(8)21(18,19)15-11-12-4-5-13-14-11/h2-6H,1H3,(H,16,17)(H,12,14,15)
InChIKeyZUVPTTVWMDCCHQ-UHFFFAOYSA-N
XLogP0.38
TPSA131.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387125
2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387105
4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid
CID 55624724
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
3-(2,2-dimethylpropylsulfamoyl)-4-methoxybenzoic acid
CID 61168021
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
CID 28511770
3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-4-methoxybenzoic acid
CID 107215557

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid (CID 115571542) is 4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1nccnn1.
What is the InChIKey of 4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid?
The InChIKey is ZUVPTTVWMDCCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5S/c1-20-8-3-2-7(10(16)17)6-9(8)21(18,19)15-11-12-4-5-13-14-11/h2-6H,1H3,(H,16,17)(H,12,14,15).
What are the key properties of 4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid?
4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid has a molecular weight of 310.29 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 115571542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).