5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid

C9H10BrF2NO5S2 — CID 103091329

IUPAC5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCOCC(F)F)c(Br)s1
InChIInChI=1S/C9H10BrF2NO5S2/c10-8-6(3-5(19-8)9(14)15)20(16,17)13-1-2-18-4-7(11)12/h3,7,13H,1-2,4H2,(H,14,15)
InChIKeyWQBPUJDEQAKCNW-UHFFFAOYSA-N
MW394.22 g/mol
LogP1.77
Rot. Bonds8

About 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 103091329) has the molecular formula C9H10BrF2NO5S2 and a molecular weight of 394.22 g/mol. Its IUPAC name is 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID103091329
Molecular FormulaC9H10BrF2NO5S2
Molecular Weight394.22 g/mol
Exact Mass392.92
IUPAC Name5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCOCC(F)F)c(Br)s1
InChIInChI=1S/C9H10BrF2NO5S2/c10-8-6(3-5(19-8)9(14)15)20(16,17)13-1-2-18-4-7(11)12/h3,7,13H,1-2,4H2,(H,14,15)
InChIKeyWQBPUJDEQAKCNW-UHFFFAOYSA-N
XLogP1.77
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 103091329) is 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCCOCC(F)F)c(Br)s1.
What is the InChIKey of 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is WQBPUJDEQAKCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO5S2/c10-8-6(3-5(19-8)9(14)15)20(16,17)13-1-2-18-4-7(11)12/h3,7,13H,1-2,4H2,(H,14,15).
What are the key properties of 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 394.22 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(2,2-difluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103091329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).