5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid

C11H16BrNO4S2 — CID 43269299

IUPAC5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCN(C(C)C)S(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H16BrNO4S2/c1-4-5-13(7(2)3)19(16,17)9-6-8(11(14)15)18-10(9)12/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyMFXVJTZUACOXSL-UHFFFAOYSA-N
MW370.29 g/mol
LogP3.02
Rot. Bonds6

About 5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43269299) has the molecular formula C11H16BrNO4S2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43269299
Molecular FormulaC11H16BrNO4S2
Molecular Weight370.29 g/mol
Exact Mass368.97
IUPAC Name5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCN(C(C)C)S(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H16BrNO4S2/c1-4-5-13(7(2)3)19(16,17)9-6-8(11(14)15)18-10(9)12/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyMFXVJTZUACOXSL-UHFFFAOYSA-N
XLogP3.02
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43269299) is 5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid is CCCN(C(C)C)S(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is MFXVJTZUACOXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4S2/c1-4-5-13(7(2)3)19(16,17)9-6-8(11(14)15)18-10(9)12/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 370.29 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[propan-2-yl(propyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43269299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).