4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C14H15NO4S2 — CID 61061675

IUPAC4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)c1ccccc1NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C14H15NO4S2/c1-9(2)11-5-3-4-6-12(11)15-21(18,19)10-7-13(14(16)17)20-8-10/h3-9,15H,1-2H3,(H,16,17)
InChIKeyCAHUUWUXVDVWFD-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.37
Rot. Bonds5

About 4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid

4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61061675) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61061675
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)c1ccccc1NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C14H15NO4S2/c1-9(2)11-5-3-4-6-12(11)15-21(18,19)10-7-13(14(16)17)20-8-10/h3-9,15H,1-2H3,(H,16,17)
InChIKeyCAHUUWUXVDVWFD-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-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

4-[(2-ethylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061735
2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid
CID 27261800
4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61062715
2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6504079
4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61062569
4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81399028
4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 154780485
methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate
CID 6503946
(2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid
CID 141071550
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29035063
4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 22307959

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61061675) is 4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid is CC(C)c1ccccc1NS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is CAHUUWUXVDVWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-9(2)11-5-3-4-6-12(11)15-21(18,19)10-7-13(14(16)17)20-8-10/h3-9,15H,1-2H3,(H,16,17).
What are the key properties of 4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61061675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).