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

C11H14BrNO5S2 — CID 43696889

IUPAC5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCCC(O)C2)c(Br)s1
InChIInChI=1S/C11H14BrNO5S2/c12-10-9(5-8(19-10)11(15)16)20(17,18)13-6-2-1-3-7(14)4-6/h5-7,13-14H,1-4H2,(H,15,16)
InChIKeyAAQUCSBXJRNZJY-UHFFFAOYSA-N
MW384.27 g/mol
LogP1.79
Rot. Bonds4

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

5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43696889) has the molecular formula C11H14BrNO5S2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43696889
Molecular FormulaC11H14BrNO5S2
Molecular Weight384.27 g/mol
Exact Mass382.95
IUPAC Name5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CCCC(O)C2)c(Br)s1
InChIInChI=1S/C11H14BrNO5S2/c12-10-9(5-8(19-10)11(15)16)20(17,18)13-6-2-1-3-7(14)4-6/h5-7,13-14H,1-4H2,(H,15,16)
InChIKeyAAQUCSBXJRNZJY-UHFFFAOYSA-N
XLogP1.79
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106120610
5-bromo-4-[(2-methyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 104654800
5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362494
5-bromo-4-[(2-methoxycyclopentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62088385
5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63993731
methyl 5-bromo-4-[(4-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylate
CID 43428154
4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63329014
5-bromo-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]thiophene-2-carboxylic acid
CID 63764566
5-bromo-4-(2-cyclohexylethylsulfamoyl)thiophene-2-carboxylic acid
CID 60921143
5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 79524425
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
5-bromo-4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 43362507

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43696889) is 5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NC2CCCC(O)C2)c(Br)s1.
What is the InChIKey of 5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is AAQUCSBXJRNZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO5S2/c12-10-9(5-8(19-10)11(15)16)20(17,18)13-6-2-1-3-7(14)4-6/h5-7,13-14H,1-4H2,(H,15,16).
What are the key properties of 5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 384.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43696889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).