5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid

C11H16BrNO5S2 — CID 106185553

IUPAC5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H16BrNO5S2/c1-10(2,11(3,4)16)13-20(17,18)7-5-6(9(14)15)19-8(7)12/h5,13,16H,1-4H3,(H,14,15)
InChIKeyNAOAVRDZAJTAEG-UHFFFAOYSA-N
MW386.29 g/mol
LogP2.04
Rot. Bonds5

About 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 106185553) has the molecular formula C11H16BrNO5S2 and a molecular weight of 386.29 g/mol. Its IUPAC name is 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID106185553
Molecular FormulaC11H16BrNO5S2
Molecular Weight386.29 g/mol
Exact Mass384.97
IUPAC Name5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H16BrNO5S2/c1-10(2,11(3,4)16)13-20(17,18)7-5-6(9(14)15)19-8(7)12/h5,13,16H,1-4H3,(H,14,15)
InChIKeyNAOAVRDZAJTAEG-UHFFFAOYSA-N
XLogP2.04
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 83005831
5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113437801
5-bromo-4-[(2-hydroxy-2,4-dimethylpentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66172242
4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
CID 61403030
5-bromo-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 43714248
5-bromo-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 60780487
5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107151279
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43665900
5-bromo-4-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82745764
5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362494
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 106185553) is 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid is CC(C)(O)C(C)(C)NS(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is NAOAVRDZAJTAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO5S2/c1-10(2,11(3,4)16)13-20(17,18)7-5-6(9(14)15)19-8(7)12/h5,13,16H,1-4H3,(H,14,15).
What are the key properties of 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 386.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106185553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).