5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C12H10BrNO4S2 — CID 61026736

IUPAC5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)O)s2)ccc1Br
InChIInChI=1S/C12H10BrNO4S2/c1-7-6-8(2-3-9(7)13)14-20(17,18)11-5-4-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyQQBFNDILFKQTFC-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.32
Rot. Bonds4

About 5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid

5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61026736) has the molecular formula C12H10BrNO4S2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61026736
Molecular FormulaC12H10BrNO4S2
Molecular Weight376.25 g/mol
Exact Mass374.92
IUPAC Name5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)O)s2)ccc1Br
InChIInChI=1S/C12H10BrNO4S2/c1-7-6-8(2-3-9(7)13)14-20(17,18)11-5-4-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyQQBFNDILFKQTFC-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

5-[(3-bromo-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63334136
5-[(4-bromo-3-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311184
5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026479
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907564
N-(4-bromo-3-methylphenyl)-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106058540
5-[(5-bromo-6-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79048330
5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61027110
5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026864
5-[(2-chloro-6-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66257029
5-bromo-4-[(3-chloro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824334
5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3818227

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61026736) is 5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)s2)ccc1Br.
What is the InChIKey of 5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is QQBFNDILFKQTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4S2/c1-7-6-8(2-3-9(7)13)14-20(17,18)11-5-4-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-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 5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61026736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).