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

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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).