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

C12H10BrNO5S2 — CID 39824179

IUPAC5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C12H10BrNO5S2/c1-19-8-5-3-2-4-7(8)14-21(17,18)10-6-9(12(15)16)20-11(10)13/h2-6,14H,1H3,(H,15,16)
InChIKeyRICCQDZMENPGSM-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.02
Rot. Bonds5

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

5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 39824179) has the molecular formula C12H10BrNO5S2 and a molecular weight of 392.25 g/mol. Its IUPAC name is 5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID39824179
Molecular FormulaC12H10BrNO5S2
Molecular Weight392.25 g/mol
Exact Mass390.92
IUPAC Name5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C12H10BrNO5S2/c1-19-8-5-3-2-4-7(8)14-21(17,18)10-6-9(12(15)16)20-11(10)13/h2-6,14H,1H3,(H,15,16)
InChIKeyRICCQDZMENPGSM-UHFFFAOYSA-N
XLogP3.02
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82745764
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
5-bromo-4-[(2,5-dichlorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43351434
5-bromo-4-[(4-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63327256
2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490
2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 50876952
5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362570
2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
CID 43091453
5-bromo-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 43714248
4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327927
4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 80980079

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 39824179) is 5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid is COc1ccccc1NS(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is RICCQDZMENPGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO5S2/c1-19-8-5-3-2-4-7(8)14-21(17,18)10-6-9(12(15)16)20-11(10)13/h2-6,14H,1H3,(H,15,16).
What are the key properties of 5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 392.25 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 39824179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).