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

C12H9BrClNO5S — CID 103477725

IUPAC4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H9BrClNO5S/c1-6-10(5-9(20-6)12(16)17)21(18,19)15-8-4-2-3-7(14)11(8)13/h2-5,15H,1H3,(H,16,17)
InChIKeyRJZSNVNWLFRBTJ-UHFFFAOYSA-N
MW394.63 g/mol
LogP3.50
Rot. Bonds4

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

4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 103477725) has the molecular formula C12H9BrClNO5S and a molecular weight of 394.63 g/mol. Its IUPAC name is 4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID103477725
Molecular FormulaC12H9BrClNO5S
Molecular Weight394.63 g/mol
Exact Mass392.91
IUPAC Name4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C12H9BrClNO5S/c1-6-10(5-9(20-6)12(16)17)21(18,19)15-8-4-2-3-7(14)11(8)13/h2-5,15H,1H3,(H,16,17)
InChIKeyRJZSNVNWLFRBTJ-UHFFFAOYSA-N
XLogP3.50
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.63
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 71867043
4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803239
4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805754
4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803058
4-[(3-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804872
4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 99773706
4-[(3-ethynylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804129
4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 71867044
4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide
CID 103480213
2-amino-4-bromo-N-(2-bromo-3-chlorophenyl)benzenesulfonamide
CID 103477338
N-(2-bromo-3-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103522055
4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 139011924

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 103477725) is 4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cccc(Cl)c1Br.
What is the InChIKey of 4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is RJZSNVNWLFRBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO5S/c1-6-10(5-9(20-6)12(16)17)21(18,19)15-8-4-2-3-7(14)11(8)13/h2-5,15H,1H3,(H,16,17).
What are the key properties of 4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 394.63 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 103477725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).