5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid

C11H6BrF2NO4S2 — CID 43236888

IUPAC5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)c1
InChIInChI=1S/C11H6BrF2NO4S2/c12-7-2-6(13)3-8(14)10(7)15-21(18,19)9-1-5(4-20-9)11(16)17/h1-4,15H,(H,16,17)
InChIKeyJDAVWPFQYZYLGF-UHFFFAOYSA-N
MW398.21 g/mol
LogP3.29
Rot. Bonds4

About 5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid

5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 43236888) has the molecular formula C11H6BrF2NO4S2 and a molecular weight of 398.21 g/mol. Its IUPAC name is 5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID43236888
Molecular FormulaC11H6BrF2NO4S2
Molecular Weight398.21 g/mol
Exact Mass396.89
IUPAC Name5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)c1
InChIInChI=1S/C11H6BrF2NO4S2/c12-7-2-6(13)3-8(14)10(7)15-21(18,19)9-1-5(4-20-9)11(16)17/h1-4,15H,(H,16,17)
InChIKeyJDAVWPFQYZYLGF-UHFFFAOYSA-N
XLogP3.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.21
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 82705967
5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 80970423
5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104937765
5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
CID 75356364
5-[(4-fluoro-2-iodophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 79769700
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 107787372
5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 25352849
5-(thiadiazol-5-ylsulfamoyl)thiophene-3-carboxylic acid
CID 114911893
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-methylthiophene-3-sulfonamide
CID 75356482
5-(dimethylaminosulfamoyl)thiophene-3-carboxylic acid
CID 83005192
5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56797689
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 43236888) is 5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)Nc2c(F)cc(F)cc2Br)c1.
What is the InChIKey of 5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is JDAVWPFQYZYLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF2NO4S2/c12-7-2-6(13)3-8(14)10(7)15-21(18,19)9-1-5(4-20-9)11(16)17/h1-4,15H,(H,16,17).
What are the key properties of 5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 398.21 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4,6-difluorophenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 43236888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).