3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid

C14H15NO4S2 — CID 63889736

IUPAC3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1sc2ccccc2c1S(=O)(=O)NCC1CCC1
InChIInChI=1S/C14H15NO4S2/c16-14(17)12-13(10-6-1-2-7-11(10)20-12)21(18,19)15-8-9-4-3-5-9/h1-2,6-7,9,15H,3-5,8H2,(H,16,17)
InChIKeyFDSJJIBVQMQBPL-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.68
Rot. Bonds5

About 3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid

3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid (PubChem CID 63889736) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid
PubChem CID63889736
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1sc2ccccc2c1S(=O)(=O)NCC1CCC1
InChIInChI=1S/C14H15NO4S2/c16-14(17)12-13(10-6-1-2-7-11(10)20-12)21(18,19)15-8-9-4-3-5-9/h1-2,6-7,9,15H,3-5,8H2,(H,16,17)
InChIKeyFDSJJIBVQMQBPL-UHFFFAOYSA-N
XLogP2.68
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)-1-benzothiophene-2-carboxylate
CID 119974414
3-(2-cyanoethylsulfamoyl)-1-benzothiophene-2-carboxylic acid
CID 63888953
methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)-1-benzothiophene-2-carboxylate;hydrochloride
CID 119974413
3-(3-cyanopropylsulfamoyl)-1-benzothiophene-2-carboxylic acid
CID 63888952
3-(1-methoxypropan-2-ylsulfamoyl)-1-benzothiophene-2-carboxylic acid
CID 63888560
3-(3-methylbutan-2-ylsulfamoyl)-1-benzothiophene-2-carboxylic acid
CID 63889142
sodium 2-carboxy-1-benzothiophene-3-sulfonate
CID 23714405
3-(4-hydroxybutan-2-ylsulfamoyl)-1-benzothiophene-2-carboxylic acid
CID 83178795
3-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-1-benzothiophene-2-carboxylic acid
CID 107215011
3-(1,3,4-thiadiazol-2-ylsulfamoyl)-1-benzothiophene-2-carboxylic acid
CID 63888948
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
3-[(7-methoxyquinolin-8-yl)methylsulfamoyl]-1-benzothiophene-2-carboxylic acid
CID 167832232

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid (CID 63889736) is 3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid is O=C(O)c1sc2ccccc2c1S(=O)(=O)NCC1CCC1.
What is the InChIKey of 3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid?
The InChIKey is FDSJJIBVQMQBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c16-14(17)12-13(10-6-1-2-7-11(10)20-12)21(18,19)15-8-9-4-3-5-9/h1-2,6-7,9,15H,3-5,8H2,(H,16,17).
What are the key properties of 3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid?
3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylsulfamoyl)-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 63889736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).