3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

C12H10BrNO4S2 — CID 102747592

IUPAC3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H10BrNO4S2/c1-7-6-19-10(12(15)16)11(7)20(17,18)14-9-4-2-3-8(13)5-9/h2-6,14H,1H3,(H,15,16)
InChIKeyXAPYKAVJIICIII-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.32
Rot. Bonds4

About 3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102747592) has the molecular formula C12H10BrNO4S2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102747592
Molecular FormulaC12H10BrNO4S2
Molecular Weight376.25 g/mol
Exact Mass374.92
IUPAC Name3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H10BrNO4S2/c1-7-6-19-10(12(15)16)11(7)20(17,18)14-9-4-2-3-8(13)5-9/h2-6,14H,1H3,(H,15,16)
InChIKeyXAPYKAVJIICIII-UHFFFAOYSA-N
XLogP3.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748150
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747696
3-[(2-bromo-3-methylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102749098
3-[(5-bromo-2-fluorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748061
4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747571
3-[(3,4-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747775
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747563
3-[(2,6-dichlorophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747945
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107584635
4-methyl-3-[(6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102747825
N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328569
3-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748976

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102747592) is 3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is XAPYKAVJIICIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4S2/c1-7-6-19-10(12(15)16)11(7)20(17,18)14-9-4-2-3-8(13)5-9/h2-6,14H,1H3,(H,15,16).
What are the key properties of 3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 376.25 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102747592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).