5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid

C12H13NO4S3 — CID 61068619

IUPAC5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid
SMILESCCC(NS(=O)(=O)c1cc(C(=O)O)cs1)c1cccs1
InChIInChI=1S/C12H13NO4S3/c1-2-9(10-4-3-5-18-10)13-20(16,17)11-6-8(7-19-11)12(14)15/h3-7,9,13H,2H2,1H3,(H,14,15)
InChIKeyKRFDQRJQDDSNAL-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.94
Rot. Bonds6

About 5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid

5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid (PubChem CID 61068619) has the molecular formula C12H13NO4S3 and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid
PubChem CID61068619
Molecular FormulaC12H13NO4S3
Molecular Weight331.44 g/mol
Exact Mass331.00
IUPAC Name5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid
SMILESCCC(NS(=O)(=O)c1cc(C(=O)O)cs1)c1cccs1
InChIInChI=1S/C12H13NO4S3/c1-2-9(10-4-3-5-18-10)13-20(16,17)11-6-8(7-19-11)12(14)15/h3-7,9,13H,2H2,1H3,(H,14,15)
InChIKeyKRFDQRJQDDSNAL-UHFFFAOYSA-N
XLogP2.94
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 43498976
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 50839083
5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
CID 43242554
5-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 106053416
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81354446
5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81409119
5-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43432380
5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81374909
3-bromo-N-(1-thiophen-2-ylpropyl)thiophene-2-sulfonamide
CID 61068284

Frequently Asked Questions

What is the IUPAC name of 5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid (CID 61068619) is 5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid is CCC(NS(=O)(=O)c1cc(C(=O)O)cs1)c1cccs1.
What is the InChIKey of 5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid?
The InChIKey is KRFDQRJQDDSNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S3/c1-2-9(10-4-3-5-18-10)13-20(16,17)11-6-8(7-19-11)12(14)15/h3-7,9,13H,2H2,1H3,(H,14,15).
What are the key properties of 5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid?
5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid has a molecular weight of 331.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 61068619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).