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

C13H18BrNO4S2 — CID 63993731

IUPAC5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)c2cc(C(=O)O)sc2Br)C(C)C1
InChIInChI=1S/C13H18BrNO4S2/c1-7-3-4-9(8(2)5-7)15-21(18,19)11-6-10(13(16)17)20-12(11)14/h6-9,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyWHNUNQPUHSVNCN-UHFFFAOYSA-N
MW396.33 g/mol
LogP3.31
Rot. Bonds4

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

5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63993731) has the molecular formula C13H18BrNO4S2 and a molecular weight of 396.33 g/mol. Its IUPAC name is 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63993731
Molecular FormulaC13H18BrNO4S2
Molecular Weight396.33 g/mol
Exact Mass394.99
IUPAC Name5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)c2cc(C(=O)O)sc2Br)C(C)C1
InChIInChI=1S/C13H18BrNO4S2/c1-7-3-4-9(8(2)5-7)15-21(18,19)11-6-10(13(16)17)20-12(11)14/h6-9,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyWHNUNQPUHSVNCN-UHFFFAOYSA-N
XLogP3.31
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362494
5-bromo-4-[(2-methoxycyclopentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62088385
4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63993923
5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43696889
5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 63995282
5-bromo-4-[(2-methyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 104654800
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide
CID 63996239
methyl 5-bromo-4-[(4-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylate
CID 43428154
5-bromo-4-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 79524425
5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106185553
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-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid (CID 63993731) is 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid is CC1CCC(NS(=O)(=O)c2cc(C(=O)O)sc2Br)C(C)C1.
What is the InChIKey of 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is WHNUNQPUHSVNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4S2/c1-7-3-4-9(8(2)5-7)15-21(18,19)11-6-10(13(16)17)20-12(11)14/h6-9,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 396.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63993731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).