2-ethyl-5-sulfamoylthiophene-3-carboxylic acid

C7H9NO4S2 — CID 69128719

IUPAC2-ethyl-5-sulfamoylthiophene-3-carboxylic acid
SMILESCCc1sc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C7H9NO4S2/c1-2-5-4(7(9)10)3-6(13-5)14(8,11)12/h3H,2H2,1H3,(H,9,10)(H2,8,11,12)
InChIKeyXBWGBXKCBYUTFT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.66
Rot. Bonds3

About 2-ethyl-5-sulfamoylthiophene-3-carboxylic acid

2-ethyl-5-sulfamoylthiophene-3-carboxylic acid (PubChem CID 69128719) has the molecular formula C7H9NO4S2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-ethyl-5-sulfamoylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-sulfamoylthiophene-3-carboxylic acid
PubChem CID69128719
Molecular FormulaC7H9NO4S2
Molecular Weight235.29 g/mol
Exact Mass235.00
IUPAC Name2-ethyl-5-sulfamoylthiophene-3-carboxylic acid
SMILESCCc1sc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C7H9NO4S2/c1-2-5-4(7(9)10)3-6(13-5)14(8,11)12/h3H,2H2,1H3,(H,9,10)(H2,8,11,12)
InChIKeyXBWGBXKCBYUTFT-UHFFFAOYSA-N
XLogP0.66
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-5-ethylthiophene-2-sulfonamide
CID 91010473
3-methyl-5-sulfamoylthiophene-2-carboxylic acid
CID 43314426
2-ethyl-4-sulfamoylbenzoic acid
CID 68595259
4-ethyl-2-sulfamoylbenzoic acid
CID 174396253
3-methyl-5-sulfamoylthiophene-2-carboxamide
CID 130619284
ethyl 2-ethyl-5-methylthiophene-3-carboxylate
CID 134970605
4-ethylthiophene-2-sulfonamide
CID 15669336
5-ethyl-2-(methanesulfonamido)thiophene-3-carboxylic acid
CID 82096774
4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid
CID 21499400
2-ethyl-1,3-thiazole-5-sulfonamide
CID 86037919
5-bromo-2-(carboxymethyl)thiophene-3-carboxylic acid
CID 82667121
4-chloro-5-ethylthiophene-2-carboxylic acid
CID 83877602

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-sulfamoylthiophene-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-sulfamoylthiophene-3-carboxylic acid (CID 69128719) is 2-ethyl-5-sulfamoylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-sulfamoylthiophene-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-sulfamoylthiophene-3-carboxylic acid is CCc1sc(S(N)(=O)=O)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-sulfamoylthiophene-3-carboxylic acid?
The InChIKey is XBWGBXKCBYUTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S2/c1-2-5-4(7(9)10)3-6(13-5)14(8,11)12/h3H,2H2,1H3,(H,9,10)(H2,8,11,12).
What are the key properties of 2-ethyl-5-sulfamoylthiophene-3-carboxylic acid?
2-ethyl-5-sulfamoylthiophene-3-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-sulfamoylthiophene-3-carboxylic acid is sourced from PubChem (CID 69128719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).