3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

C12H9Cl2NO4S2 — CID 102747775

IUPAC3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl2NO4S2/c1-6-5-20-10(12(16)17)11(6)21(18,19)15-7-2-3-8(13)9(14)4-7/h2-5,15H,1H3,(H,16,17)
InChIKeyRDBBDYNIYLAWCQ-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.86
Rot. Bonds4

About 3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102747775) has the molecular formula C12H9Cl2NO4S2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102747775
Molecular FormulaC12H9Cl2NO4S2
Molecular Weight366.25 g/mol
Exact Mass364.94
IUPAC Name3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl2NO4S2/c1-6-5-20-10(12(16)17)11(6)21(18,19)15-7-2-3-8(13)9(14)4-7/h2-5,15H,1H3,(H,16,17)
InChIKeyRDBBDYNIYLAWCQ-UHFFFAOYSA-N
XLogP3.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747571
3-[(2,6-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747945
3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747592
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107584635
3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748150
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747696
4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747825
4-methyl-3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102747453
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747563
4-methyl-3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 102749443
3-[(5-bromo-2-fluorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748061
3-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748976

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102747775) is 3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is RDBBDYNIYLAWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO4S2/c1-6-5-20-10(12(16)17)11(6)21(18,19)15-7-2-3-8(13)9(14)4-7/h2-5,15H,1H3,(H,16,17).
What are the key properties of 3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 366.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102747775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).