5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C12H9BrFNO4S2 — CID 103752852

IUPAC5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cc(F)ccc2Br)sc1C(=O)O
InChIInChI=1S/C12H9BrFNO4S2/c1-6-4-10(20-11(6)12(16)17)21(18,19)15-9-5-7(14)2-3-8(9)13/h2-5,15H,1H3,(H,16,17)
InChIKeyZFHDVQXZBYXIRJ-UHFFFAOYSA-N
MW394.24 g/mol
LogP3.46
Rot. Bonds4

About 5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 103752852) has the molecular formula C12H9BrFNO4S2 and a molecular weight of 394.24 g/mol. Its IUPAC name is 5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID103752852
Molecular FormulaC12H9BrFNO4S2
Molecular Weight394.24 g/mol
Exact Mass392.91
IUPAC Name5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cc(F)ccc2Br)sc1C(=O)O
InChIInChI=1S/C12H9BrFNO4S2/c1-6-4-10(20-11(6)12(16)17)21(18,19)15-9-5-7(14)2-3-8(9)13/h2-5,15H,1H3,(H,16,17)
InChIKeyZFHDVQXZBYXIRJ-UHFFFAOYSA-N
XLogP3.46
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43716909
5-[(2-bromo-5-chlorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 81269683
5-[(2,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311182
5-[(4-bromo-3-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311184
3-methyl-5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115485
5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311160
5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311185
4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 107624884
5-[(2-bromo-6-methoxy-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 71847214
3-methyl-5-[(4-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43311197
5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 51115488
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 103099620

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 103752852) is 5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2cc(F)ccc2Br)sc1C(=O)O.
What is the InChIKey of 5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is ZFHDVQXZBYXIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO4S2/c1-6-4-10(20-11(6)12(16)17)21(18,19)15-9-5-7(14)2-3-8(9)13/h2-5,15H,1H3,(H,16,17).
What are the key properties of 5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 394.24 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 103752852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).