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

C11H6BrCl2NO4S2 — CID 107787372

IUPAC5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)c1
InChIInChI=1S/C11H6BrCl2NO4S2/c12-6-1-2-7(10(14)9(6)13)15-21(18,19)8-3-5(4-20-8)11(16)17/h1-4,15H,(H,16,17)
InChIKeyAWFLXYHWZJFKOF-UHFFFAOYSA-N
MW431.12 g/mol
LogP4.32
Rot. Bonds4

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

5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 107787372) has the molecular formula C11H6BrCl2NO4S2 and a molecular weight of 431.12 g/mol. Its IUPAC name is 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID107787372
Molecular FormulaC11H6BrCl2NO4S2
Molecular Weight431.12 g/mol
Exact Mass428.83
IUPAC Name5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)c1
InChIInChI=1S/C11H6BrCl2NO4S2/c12-6-1-2-7(10(14)9(6)13)15-21(18,19)8-3-5(4-20-8)11(16)17/h1-4,15H,(H,16,17)
InChIKeyAWFLXYHWZJFKOF-UHFFFAOYSA-N
XLogP4.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.12
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 80970423
5-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 82705967
5-[(2-chloro-4-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39875545
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917
4-bromo-3-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 103866901
5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 79769700
5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43236888
5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56795843
5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104937765
5-[(2-nitrophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43229117
5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 25352849
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid
CID 107264939

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 107787372) is 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)c1.
What is the InChIKey of 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is AWFLXYHWZJFKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2NO4S2/c12-6-1-2-7(10(14)9(6)13)15-21(18,19)8-3-5(4-20-8)11(16)17/h1-4,15H,(H,16,17).
What are the key properties of 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 431.12 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 107787372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).