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

C11H8BrNO4S2 — CID 43235689

IUPAC3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C11H8BrNO4S2/c12-7-3-1-2-4-8(7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)
InChIKeyPAJNLWOKQSTMKD-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.01
Rot. Bonds4

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

3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43235689) has the molecular formula C11H8BrNO4S2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43235689
Molecular FormulaC11H8BrNO4S2
Molecular Weight362.23 g/mol
Exact Mass360.91
IUPAC Name3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C11H8BrNO4S2/c12-7-3-1-2-4-8(7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)
InChIKeyPAJNLWOKQSTMKD-UHFFFAOYSA-N
XLogP3.01
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79042040
3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235732
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235697
N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106061210
3-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235706
3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090747
3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443081
bromomethane;3-[(2,3-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 90762756
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979
3-(pyrrol-1-ylsulfamoyl)thiophene-2-carboxylic acid
CID 79090175
methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43235689) is 3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is PAJNLWOKQSTMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4S2/c12-7-3-1-2-4-8(7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15).
What are the key properties of 3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 362.23 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43235689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).