3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C13H13NO4S2 — CID 43090751

IUPAC3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCc1cccc(NS(=O)(=O)c2ccsc2C(=O)O)c1
InChIInChI=1S/C13H13NO4S2/c1-2-9-4-3-5-10(8-9)14-20(17,18)11-6-7-19-12(11)13(15)16/h3-8,14H,2H2,1H3,(H,15,16)
InChIKeyNLHZOVXXQPOBOV-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.81
Rot. Bonds5

About 3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid

3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43090751) has the molecular formula C13H13NO4S2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43090751
Molecular FormulaC13H13NO4S2
Molecular Weight311.38 g/mol
Exact Mass311.03
IUPAC Name3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCc1cccc(NS(=O)(=O)c2ccsc2C(=O)O)c1
InChIInChI=1S/C13H13NO4S2/c1-2-9-4-3-5-10(8-9)14-20(17,18)11-6-7-19-12(11)13(15)16/h3-8,14H,2H2,1H3,(H,15,16)
InChIKeyNLHZOVXXQPOBOV-UHFFFAOYSA-N
XLogP2.81
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62811245
5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
2-[(3-ethylphenyl)sulfamoyl]acetic acid
CID 28773818
3-[[4-(cyanomethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 43426242
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 19029493
3-[(3-chloro-4-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235749
3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235697
methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate
CID 154755350
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748150
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43090751) is 3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid is CCc1cccc(NS(=O)(=O)c2ccsc2C(=O)O)c1.
What is the InChIKey of 3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is NLHZOVXXQPOBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S2/c1-2-9-4-3-5-10(8-9)14-20(17,18)11-6-7-19-12(11)13(15)16/h3-8,14H,2H2,1H3,(H,15,16).
What are the key properties of 3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43090751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).