4-(diethylsulfamoyl)thiophene-2-carboxylic acid

C9H13NO4S2 — CID 27243111

IUPAC4-(diethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C9H13NO4S2/c1-3-10(4-2)16(13,14)7-5-8(9(11)12)15-6-7/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyJINWNNOCTXFVFR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.48
Rot. Bonds5

About 4-(diethylsulfamoyl)thiophene-2-carboxylic acid

4-(diethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 27243111) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(diethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID27243111
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Name4-(diethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C9H13NO4S2/c1-3-10(4-2)16(13,14)7-5-8(9(11)12)15-6-7/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyJINWNNOCTXFVFR-UHFFFAOYSA-N
XLogP1.48
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(2-methylprop-2-enyl)sulfamoyl]thiophene-2-carboxylic acid
CID 55150197
4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 16761948
4-[2-cyanopropyl(ethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61384905
4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618317
4-[2-hydroxyethyl(propyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63617805
4-[methyl(4-methylpentan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61072691
4-[2-methylpropyl(propan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61074403
4-[ethyl-(2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62050227
1-[4-(diethylsulfamoyl)thiophene-2-carbonyl]piperidine-4-carboxamide
CID 27262135
4-(diethylsulfamoyl)-N-(2-hydroxyphenyl)thiophene-2-carboxamide
CID 6503203
4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503193
N-(4-acetylphenyl)-4-(diethylsulfamoyl)thiophene-2-carboxamide
CID 6503218

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(diethylsulfamoyl)thiophene-2-carboxylic acid (CID 27243111) is 4-(diethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(diethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(diethylsulfamoyl)thiophene-2-carboxylic acid is CCN(CC)S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-(diethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is JINWNNOCTXFVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-3-10(4-2)16(13,14)7-5-8(9(11)12)15-6-7/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 4-(diethylsulfamoyl)thiophene-2-carboxylic acid?
4-(diethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 27243111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).