4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid

C10H10N4O4S2 — CID 114911938

IUPAC4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid
SMILESCCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1nnns1
InChIInChI=1S/C10H10N4O4S2/c1-2-6-3-4-7(9(15)16)5-8(6)20(17,18)12-10-11-13-14-19-10/h3-5H,2H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyDGDGLKLWMJBLCH-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.99
Rot. Bonds5

About 4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid

4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid (PubChem CID 114911938) has the molecular formula C10H10N4O4S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid
PubChem CID114911938
Molecular FormulaC10H10N4O4S2
Molecular Weight314.35 g/mol
Exact Mass314.01
IUPAC Name4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid
SMILESCCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1nnns1
InChIInChI=1S/C10H10N4O4S2/c1-2-6-3-4-7(9(15)16)5-8(6)20(17,18)12-10-11-13-14-19-10/h3-5H,2H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyDGDGLKLWMJBLCH-UHFFFAOYSA-N
XLogP0.99
TPSA122.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-4-(thiatriazol-5-ylsulfamoyl)benzoic acid
CID 102695581
4-(thiatriazol-5-ylsulfamoyl)benzoic acid
CID 114911956
4-ethyl-3-(methylsulfamoyl)benzoic acid
CID 43311481
4-ethyl-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387125
4-ethyl-3-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]benzoic acid
CID 56796410
4-ethyl-3-methylsulfonylbenzoic acid
CID 22597779
3-methyl-4-(thiatriazol-5-ylsulfamoyl)benzenecarbothioamide
CID 106998596
4-ethyl-3-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 56813250
4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid
CID 107641501
4-ethyl-3-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoic acid
CID 60780469
4-ethyl-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
CID 63226617
4-ethyl-3-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 104759141

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid (CID 114911938) is 4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid is CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1nnns1.
What is the InChIKey of 4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid?
The InChIKey is DGDGLKLWMJBLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S2/c1-2-6-3-4-7(9(15)16)5-8(6)20(17,18)12-10-11-13-14-19-10/h3-5H,2H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid?
4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid has a molecular weight of 314.35 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(thiatriazol-5-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 114911938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).