4-(thiatriazol-5-ylsulfamoyl)benzoic acid

C8H6N4O4S2 — CID 114911956

IUPAC4-(thiatriazol-5-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2nnns2)cc1
InChIInChI=1S/C8H6N4O4S2/c13-7(14)5-1-3-6(4-2-5)18(15,16)10-8-9-11-12-17-8/h1-4H,(H,13,14)(H,9,10,12)
InChIKeyVLLPAPPEUFVONV-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.43
Rot. Bonds4

About 4-(thiatriazol-5-ylsulfamoyl)benzoic acid

4-(thiatriazol-5-ylsulfamoyl)benzoic acid (PubChem CID 114911956) has the molecular formula C8H6N4O4S2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-(thiatriazol-5-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(thiatriazol-5-ylsulfamoyl)benzoic acid
PubChem CID114911956
Molecular FormulaC8H6N4O4S2
Molecular Weight286.29 g/mol
Exact Mass285.98
IUPAC Name4-(thiatriazol-5-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2nnns2)cc1
InChIInChI=1S/C8H6N4O4S2/c13-7(14)5-1-3-6(4-2-5)18(15,16)10-8-9-11-12-17-8/h1-4H,(H,13,14)(H,9,10,12)
InChIKeyVLLPAPPEUFVONV-UHFFFAOYSA-N
XLogP0.43
TPSA122.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydrazinyl-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912916
4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid
CID 114911938
3-methoxy-4-(thiatriazol-5-ylsulfamoyl)benzoic acid
CID 102695581
4-(methylaminomethyl)-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912960
4-(4-hydroxybut-1-ynyl)-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114913909
2-hydrazinyl-N-(thiatriazol-5-yl)pyridine-4-sulfonamide
CID 114912904
4-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387082
6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
CID 114914131
3-methyl-4-(thiatriazol-5-ylsulfamoyl)benzenecarbothioamide
CID 106998596
6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid
CID 114913629
4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid
CID 6463370
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459

Frequently Asked Questions

What is the IUPAC name of 4-(thiatriazol-5-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-(thiatriazol-5-ylsulfamoyl)benzoic acid (CID 114911956) is 4-(thiatriazol-5-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(thiatriazol-5-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(thiatriazol-5-ylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2nnns2)cc1.
What is the InChIKey of 4-(thiatriazol-5-ylsulfamoyl)benzoic acid?
The InChIKey is VLLPAPPEUFVONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O4S2/c13-7(14)5-1-3-6(4-2-5)18(15,16)10-8-9-11-12-17-8/h1-4H,(H,13,14)(H,9,10,12).
What are the key properties of 4-(thiatriazol-5-ylsulfamoyl)benzoic acid?
4-(thiatriazol-5-ylsulfamoyl)benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiatriazol-5-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 114911956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).