2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid

C11H10N4O5S — CID 114387105

IUPAC2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2nccnn2)cc1C(=O)O
InChIInChI=1S/C11H10N4O5S/c1-20-9-3-2-7(6-8(9)10(16)17)21(18,19)15-11-12-4-5-13-14-11/h2-6H,1H3,(H,16,17)(H,12,14,15)
InChIKeyZHXKDGKDVQHYLY-UHFFFAOYSA-N
MW310.29 g/mol
LogP0.38
Rot. Bonds5

About 2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid

2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid (PubChem CID 114387105) has the molecular formula C11H10N4O5S and a molecular weight of 310.29 g/mol. Its IUPAC name is 2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
PubChem CID114387105
Molecular FormulaC11H10N4O5S
Molecular Weight310.29 g/mol
Exact Mass310.04
IUPAC Name2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2nccnn2)cc1C(=O)O
InChIInChI=1S/C11H10N4O5S/c1-20-9-3-2-7(6-8(9)10(16)17)21(18,19)15-11-12-4-5-13-14-11/h2-6H,1H3,(H,16,17)(H,12,14,15)
InChIKeyZHXKDGKDVQHYLY-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

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Related Compounds

2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 43323984
2-bromo-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 115571544
4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 115571542
5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 63565237
4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387082
2-methoxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
CID 61394386
5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 60784641
2-methoxy-5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 60780474
2-methoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43323987
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83005779

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid (CID 114387105) is 2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid is COc1ccc(S(=O)(=O)Nc2nccnn2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid?
The InChIKey is ZHXKDGKDVQHYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5S/c1-20-9-3-2-7(6-8(9)10(16)17)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 2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid?
2-methoxy-5-(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 2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 114387105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).