5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid

C11H7BrClNO4S2 — CID 80970423

IUPAC5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C11H7BrClNO4S2/c12-8-4-7(13)1-2-9(8)14-20(17,18)10-3-6(5-19-10)11(15)16/h1-5,14H,(H,15,16)
InChIKeyKDARZNDYYIBULM-UHFFFAOYSA-N
MW396.67 g/mol
LogP3.66
Rot. Bonds4

About 5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid

5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 80970423) has the molecular formula C11H7BrClNO4S2 and a molecular weight of 396.67 g/mol. Its IUPAC name is 5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID80970423
Molecular FormulaC11H7BrClNO4S2
Molecular Weight396.67 g/mol
Exact Mass394.87
IUPAC Name5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C11H7BrClNO4S2/c12-8-4-7(13)1-2-9(8)14-20(17,18)10-3-6(5-19-10)11(15)16/h1-5,14H,(H,15,16)
InChIKeyKDARZNDYYIBULM-UHFFFAOYSA-N
XLogP3.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 107787372
5-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 82705967
5-[(2-chloro-4-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39875545
2-[5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 81260465
4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 80980079
N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777456
5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 79769700
5-bromo-4-[(2-bromo-4-chlorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 81260387
5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43236888
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)thiophene-2-sulfonamide
CID 50777685
4-bromo-3-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 103866901
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 80970423) is 5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)Nc2ccc(Cl)cc2Br)c1.
What is the InChIKey of 5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is KDARZNDYYIBULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO4S2/c12-8-4-7(13)1-2-9(8)14-20(17,18)10-3-6(5-19-10)11(15)16/h1-5,14H,(H,15,16).
What are the key properties of 5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 396.67 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 80970423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).