5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid

C13H13NO5S2 — CID 103223838

IUPAC5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H13NO5S2/c1-2-14(9-4-3-5-10(15)8-9)21(18,19)12-7-6-11(20-12)13(16)17/h3-8,15H,2H2,1H3,(H,16,17)
InChIKeyVTXLCEYCDQEIJV-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.37
Rot. Bonds5

About 5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid

5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 103223838) has the molecular formula C13H13NO5S2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID103223838
Molecular FormulaC13H13NO5S2
Molecular Weight327.38 g/mol
Exact Mass327.02
IUPAC Name5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C13H13NO5S2/c1-2-14(9-4-3-5-10(15)8-9)21(18,19)12-7-6-11(20-12)13(16)17/h3-8,15H,2H2,1H3,(H,16,17)
InChIKeyVTXLCEYCDQEIJV-UHFFFAOYSA-N
XLogP2.37
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)-methylsulfamoyl]-N-(3-hydroxyphenyl)thiophene-2-carboxamide
CID 6503734
4-[Ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61062198
4-[Ethyl-(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61073123
5-[Ethyl-(3-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61854158
5-[(4-Fluorophenyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61968440
5-[(3-Fluorophenyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61983504
5-[(2-Fluorophenyl)-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61984076
5-[Ethyl-(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61996033
5-[Ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61998335
4-[Ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62050227
4-[(4-Fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328701
4-[(2-Fluorophenyl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328743

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 103223838) is 5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid is CCN(c1cccc(O)c1)S(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is VTXLCEYCDQEIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S2/c1-2-14(9-4-3-5-10(15)8-9)21(18,19)12-7-6-11(20-12)13(16)17/h3-8,15H,2H2,1H3,(H,16,17).
What are the key properties of 5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103223838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).