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

C10H8N4O4S — CID 114387082

IUPAC4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2nccnn2)cc1
InChIInChI=1S/C10H8N4O4S/c15-9(16)7-1-3-8(4-2-7)19(17,18)14-10-11-5-6-12-13-10/h1-6H,(H,15,16)(H,11,13,14)
InChIKeyGOSQYURLAAMLKQ-UHFFFAOYSA-N
MW280.26 g/mol
LogP0.37
Rot. Bonds4

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

4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid (PubChem CID 114387082) has the molecular formula C10H8N4O4S and a molecular weight of 280.26 g/mol. Its IUPAC name is 4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
PubChem CID114387082
Molecular FormulaC10H8N4O4S
Molecular Weight280.26 g/mol
Exact Mass280.03
IUPAC Name4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2nccnn2)cc1
InChIInChI=1S/C10H8N4O4S/c15-9(16)7-1-3-8(4-2-7)19(17,18)14-10-11-5-6-12-13-10/h1-6H,(H,15,16)(H,11,13,14)
InChIKeyGOSQYURLAAMLKQ-UHFFFAOYSA-N
XLogP0.37
TPSA122.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 115571544
4-ethyl-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387125
4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 115571542
2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387105
4-(2-aminoethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387252
4-[N-acetyl-4-(pyrimidin-2-ylsulfamoyl)anilino]benzoic acid
CID 133083814
3-(aminomethyl)-4-fluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 114387255
4-(2-hydroxyethylsulfamoyl)benzoic acid
CID 15944537
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
4-(thiatriazol-5-ylsulfamoyl)benzoic acid
CID 114911956
2-(1,2,4-triazin-3-ylsulfamoyl)propanoic acid
CID 114387079
4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid
CID 6463370

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid (CID 114387082) is 4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2nccnn2)cc1.
What is the InChIKey of 4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid?
The InChIKey is GOSQYURLAAMLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4S/c15-9(16)7-1-3-8(4-2-7)19(17,18)14-10-11-5-6-12-13-10/h1-6H,(H,15,16)(H,11,13,14).
What are the key properties of 4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid?
4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid has a molecular weight of 280.26 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 114387082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).