5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid

C11H16BrNO5S2 — CID 107151279

IUPAC5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)CC(O)CNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H16BrNO5S2/c1-6(2)3-7(14)5-13-20(17,18)9-4-8(11(15)16)19-10(9)12/h4,6-7,13-14H,3,5H2,1-2H3,(H,15,16)
InChIKeyUOURSOCWCWFVAD-UHFFFAOYSA-N
MW386.29 g/mol
LogP1.89
Rot. Bonds7

About 5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 107151279) has the molecular formula C11H16BrNO5S2 and a molecular weight of 386.29 g/mol. Its IUPAC name is 5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID107151279
Molecular FormulaC11H16BrNO5S2
Molecular Weight386.29 g/mol
Exact Mass384.97
IUPAC Name5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCC(C)CC(O)CNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H16BrNO5S2/c1-6(2)3-7(14)5-13-20(17,18)9-4-8(11(15)16)19-10(9)12/h4,6-7,13-14H,3,5H2,1-2H3,(H,15,16)
InChIKeyUOURSOCWCWFVAD-UHFFFAOYSA-N
XLogP1.89
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid (CID 107151279) is 5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid is CC(C)CC(O)CNS(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is UOURSOCWCWFVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO5S2/c1-6(2)3-7(14)5-13-20(17,18)9-4-8(11(15)16)19-10(9)12/h4,6-7,13-14H,3,5H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 386.29 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-hydroxy-4-methylpentyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 107151279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).